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

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(phenylcarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester 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=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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