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

Systemtic Name: [5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-2-oxidanylidene-indol-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate Openeye Name: [5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridyl)-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-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxo-3-indolyl] ester IUPAC Name: [5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-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-o-phenetylsulfonyl-indolin-3-yl] ester Formula: C35H40N6O7S MolecularWeight: 688.7931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1S(=O)(=O)N2C3=C(C=C(C=C3)C#N)C(C2=O)(C4=C(N=CC=C4)OCC)OC(=O)N5CCC(CC5)N6CCN(CC6)C

Isomeric SMILES

CCOC1=CC=CC=C1S(=O)(=O)N2C3=C(C=C(C=C3)C#N)C(C2=O)(C4=C(N=CC=C4)OCC)OC(=O)N5CCC(CC5)N6CCN(CC6)C

InChI

InChI=1S/C35H40N6O7S/c1-4-46-30-10-6-7-11-31(30)49(44,45)41-29-13-12-25(24-36)23-28(29)35(33(41)42,27-9-8-16-37-32(27)47-5-2)48-34(43)40-17-14-26(15-18-40)39-21-19-38(3)20-22-39/h6-13,16,23,26H,4-5,14-15,17-22H2,1-3H3