3-chloranyl-11-(4-methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-11-(4-methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11-(p-tolylsulfonyl)benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-11-(4-methylphenyl)sulfonyl-6-(4-methyl-1-piperazinyl)benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-11-(4-methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-(4-methylpiperazino)-11-tosyl-benzo[b][1,4]benzodiazepine Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)N=C(C4=CC=CC=C42)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)N=C(C4=CC=CC=C42)N5CCN(CC5)C

InChI

InChI=1S/C25H25ClN4O2S/c1-18-7-10-20(11-8-18)33(31,32)30-23-6-4-3-5-21(23)25(29-15-13-28(2)14-16-29)27-22-17-19(26)9-12-24(22)30/h3-12,17H,13-16H2,1-2H3