4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(phenylcarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(phenylcarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-benzoyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-benzoyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-benzoyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-benzoyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C28H26N2O7S MolecularWeight: 534.58024

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

COCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O7S/c1-36-17-7-8-18-37-23-13-15-24(16-14-23)38(34,35)30-19-22-11-5-6-12-25(22)29(20-26(30)28(32)33)27(31)21-9-3-2-4-10-21/h2-6,9-16,26H,17-20H2,1H3,(H,32,33)