methyl 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazin-1-yl)ethanoyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazin-1-yl)ethanoyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazino)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C25H32N4O6S MolecularWeight: 516.60978

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)CC(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)OC

InChI

InChI=1S/C25H32N4O6S/c1-26-12-14-27(15-13-26)18-24(30)28-17-23(25(31)35-3)29(16-19-6-4-5-7-22(19)28)36(32,33)21-10-8-20(34-2)9-11-21/h4-11,23H,12-18H2,1-3H3