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

Systemtic Name: 1-(phenylcarbonyl)-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-benzoyl-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-benzoyl-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-benzoyl-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-benzoyl-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C26H22N2O6S MolecularWeight: 490.52768

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Descriptors Computed from Structure

Canonical SMILES:

CC#COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC#COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O6S/c1-2-16-34-21-12-14-22(15-13-21)35(32,33)28-17-20-10-6-7-11-23(20)27(18-24(28)26(30)31)25(29)19-8-4-3-5-9-19/h3-15,24H,17-18H2,1H3,(H,30,31)