[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-2-oxidanylidene-indol-3-yl] 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate

Systemtic Name: [5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-2-oxidanylidene-indol-3-yl] 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate Openeye Name: [5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridyl)-2-oxo-indolin-3-yl] 4-(1-propyl-4-piperidyl)piperazine-1-carboxylate CAS Name: 4-(1-propyl-4-piperidinyl)-1-piperazinecarboxylic acid [5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxo-3-indolyl] ester IUPAC Name: [5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-2-oxoindol-3-yl] 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1-propyl-4-piperidyl)piperazine-1-carboxylic acid [5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridyl)-2-keto-indolin-3-yl] ester Formula: C37H44N6O8S MolecularWeight: 732.84566

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)N2CCN(CC2)C(=O)OC3(C4=C(C=CC(=C4)C#N)N(C3=O)S(=O)(=O)C5=C(C=C(C=C5)OC)OC)C6=C(N=CC=C6)OCC

Isomeric SMILES

CCCN1CCC(CC1)N2CCN(CC2)C(=O)OC3(C4=C(C=CC(=C4)C#N)N(C3=O)S(=O)(=O)C5=C(C=C(C=C5)OC)OC)C6=C(N=CC=C6)OCC

InChI

InChI=1S/C37H44N6O8S/c1-5-16-40-17-13-27(14-18-40)41-19-21-42(22-20-41)36(45)51-37(29-8-7-15-39-34(29)50-6-2)30-23-26(25-38)9-11-31(30)43(35(37)44)52(46,47)33-12-10-28(48-3)24-32(33)49-4/h7-12,15,23-24,27H,5-6,13-14,16-22H2,1-4H3