[5-cyano-3-(2-ethoxypyridin-3-yl)-1-(2-methoxyphenyl)sulfonyl-2-oxidanylidene-indol-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate

Systemtic Name: [5-cyano-3-(2-ethoxypyridin-3-yl)-1-(2-methoxyphenyl)sulfonyl-2-oxidanylidene-indol-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate Openeye Name: [5-cyano-3-(2-ethoxy-3-pyridyl)-1-(2-methoxyphenyl)sulfonyl-2-oxo-indolin-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate CAS Name: 4-(4-methyl-1-piperazinyl)-1-piperidinecarboxylic acid [5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(2-methoxyphenyl)sulfonyl-2-oxo-3-indolyl] ester IUPAC Name: [5-cyano-3-(2-ethoxypyridin-3-yl)-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate Traditional Name: 4-(4-methylpiperazino)piperidine-1-carboxylic acid [5-cyano-3-(2-ethoxy-3-pyridyl)-2-keto-1-(2-methoxyphenyl)sulfonyl-indolin-3-yl] ester Formula: C34H38N6O7S MolecularWeight: 674.76652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC=C4OC)OC(=O)N5CCC(CC5)N6CCN(CC6)C

Isomeric SMILES

CCOC1=C(C=CC=N1)C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC=C4OC)OC(=O)N5CCC(CC5)N6CCN(CC6)C

InChI

InChI=1S/C34H38N6O7S/c1-4-46-31-26(8-7-15-36-31)34(47-33(42)39-16-13-25(14-17-39)38-20-18-37(2)19-21-38)27-22-24(23-35)11-12-28(27)40(32(34)41)48(43,44)30-10-6-5-9-29(30)45-3/h5-12,15,22,25H,4,13-14,16-21H2,1-3H3