3-(2-ethoxyphenyl)-1-(4-methylquinolin-8-yl)sulfonyl-2-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile

Systemtic Name: 3-(2-ethoxyphenyl)-1-(4-methylquinolin-8-yl)sulfonyl-2-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile Openeye Name: 3-(2-ethoxyphenyl)-1-[(4-methyl-8-quinolyl)sulfonyl]-2-oxo-3-[4-(4-pyridyl)piperazin-1-yl]indoline-5-carbonitrile CAS Name: 3-(2-ethoxyphenyl)-1-[(4-methyl-8-quinolinyl)sulfonyl]-2-oxo-3-(4-pyridin-4-yl-1-piperazinyl)-5-indolecarbonitrile IUPAC Name: 3-(2-ethoxyphenyl)-1-(4-methylquinolin-8-yl)sulfonyl-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile Traditional Name: 2-keto-1-[(4-methyl-8-quinolyl)sulfonyl]-3-o-phenetyl-3-[4-(4-pyridyl)piperazino]indoline-5-carbonitrile Formula: C36H32N6O4S MolecularWeight: 644.74208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC5=C(C=CN=C54)C)N6CCN(CC6)C7=CC=NC=C7

Isomeric SMILES

CCOC1=CC=CC=C1C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC5=C(C=CN=C54)C)N6CCN(CC6)C7=CC=NC=C7

InChI

InChI=1S/C36H32N6O4S/c1-3-46-32-9-5-4-8-29(32)36(41-21-19-40(20-22-41)27-14-16-38-17-15-27)30-23-26(24-37)11-12-31(30)42(35(36)43)47(44,45)33-10-6-7-28-25(2)13-18-39-34(28)33/h4-18,23H,3,19-22H2,1-2H3