methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-7-fluoranyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-7-fluoranyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-fluoro-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-fluoro-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-fluoro-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-fluoro-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C23H23FN2O6S MolecularWeight: 474.501923

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)F)N(CC2C(=O)OC)C(=O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)F)N(CC2C(=O)OC)C(=O)C

InChI

InChI=1S/C23H23FN2O6S/c1-4-5-12-32-19-7-9-20(10-8-19)33(29,30)26-14-17-13-18(24)6-11-21(17)25(16(2)27)15-22(26)23(28)31-3/h6-11,13,22H,12,14-15H2,1-3H3