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

Systemtic Name: 4-(4-pentoxyphenyl)sulfonyl-1-(phenylcarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-benzoyl-4-(4-pentoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-benzoyl-4-(4-pentoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-benzoyl-4-(4-pentoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-amoxyphenyl)sulfonyl-1-benzoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C28H30N2O6S MolecularWeight: 522.6126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O6S/c1-2-3-9-18-36-23-14-16-24(17-15-23)37(34,35)30-19-22-12-7-8-13-25(22)29(20-26(30)28(32)33)27(31)21-10-5-4-6-11-21/h4-8,10-17,26H,2-3,9,18-20H2,1H3,(H,32,33)