[5-chloranyl-2-oxidanylidene-3-phenyl-1-(phenylsulfonyl)indol-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate

Systemtic Name: [5-chloranyl-2-oxidanylidene-3-phenyl-1-(phenylsulfonyl)indol-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate Openeye Name: [1-(benzenesulfonyl)-5-chloro-2-oxo-3-phenyl-indolin-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate CAS Name: 4-(4-methyl-1-piperazinyl)-1-piperidinecarboxylic acid [1-(benzenesulfonyl)-5-chloro-2-oxo-3-phenyl-3-indolyl] ester IUPAC Name: [1-(benzenesulfonyl)-5-chloro-2-oxo-3-phenylindol-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate Traditional Name: 4-(4-methylpiperazino)piperidine-1-carboxylic acid (1-besyl-5-chloro-2-keto-3-phenyl-indolin-3-yl) ester Formula: C31H33ClN4O5S MolecularWeight: 609.13552

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)C(=O)OC3(C4=C(C=CC(=C4)Cl)N(C3=O)S(=O)(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)C(=O)OC3(C4=C(C=CC(=C4)Cl)N(C3=O)S(=O)(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H33ClN4O5S/c1-33-18-20-34(21-19-33)25-14-16-35(17-15-25)30(38)41-31(23-8-4-2-5-9-23)27-22-24(32)12-13-28(27)36(29(31)37)42(39,40)26-10-6-3-7-11-26/h2-13,22,25H,14-21H2,1H3