methyl 1-[(E)-but-2-enoyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-[(E)-but-2-enoyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-[(E)-but-2-enoyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-[(E)-1-oxobut-2-enyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-but-2-enoyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-[(E)-but-2-enoyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CC(N(CC2=C1C=CC(=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

C/C=C/C(=O)N1CC(N(CC2=C1C=CC(=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C23H26N2O6S/c1-5-6-22(26)24-15-21(23(27)31-4)25(14-17-13-16(2)7-12-20(17)24)32(28,29)19-10-8-18(30-3)9-11-19/h5-13,21H,14-15H2,1-4H3/b6-5+