4-(4-but-2-ynoxyphenyl)sulfonyl-7-methyl-1-(phenylcarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-7-methyl-1-(phenylcarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C28H26N2O6S MolecularWeight: 518.58084

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C)N(CC2C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C)N(CC2C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O6S/c1-3-4-16-36-23-11-13-24(14-12-23)37(34,35)30-18-22-17-20(2)10-15-25(22)29(19-26(30)28(32)33)27(31)21-8-6-5-7-9-21/h5-15,17,26H,16,18-19H2,1-2H3,(H,32,33)