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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazin-1-yl)ethanoyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazino)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C24H30N4O6S MolecularWeight: 502.5832

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O6S/c1-25-11-13-26(14-12-25)17-23(29)27-16-22(24(30)31)28(15-18-5-3-4-6-21(18)27)35(32,33)20-9-7-19(34-2)8-10-20/h3-10,22H,11-17H2,1-2H3,(H,30,31)