-ISIS- 08091621332D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.1292 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -0.2417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.6792 1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 -0.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3667 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3667 0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 2 2 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 6 1 0 0 0 0 17 14 2 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 20 7 1 0 0 0 0 21 15 1 0 0 0 0 22 19 1 0 0 0 0 23 16 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 6 7 2 0 0 0 0 23 24 1 0 0 0 0 19 18 2 0 0 0 0 M END > (BBL000771) BBL000771 > (BBL000771) 3 > (BBL000771) 6.667 > (BBL000771) 109.09 > (BBL000771) 1 > (BBL000771) 4 > (BBL000771) 3 > (BBL000771) ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (BBL000771) 379.50 > (BBL000771) C18H21NO4S2 > (BBL000771) CCOC(=O)c1c(sc2c1CCCC2)NS(=O)(=O)c1ccc(cc1)C > (BBL000771) MFCD00121788 $$$$