3-(2-ethoxyphenyl)-3-[4-(3-methylpyridin-4-yl)piperazin-1-yl]-2-oxidanylidene-1-quinolin-8-ylsulfonyl-indole-5-carbonitrile

Systemtic Name: 3-(2-ethoxyphenyl)-3-[4-(3-methylpyridin-4-yl)piperazin-1-yl]-2-oxidanylidene-1-quinolin-8-ylsulfonyl-indole-5-carbonitrile Openeye Name: 3-(2-ethoxyphenyl)-3-[4-(3-methyl-4-pyridyl)piperazin-1-yl]-2-oxo-1-(8-quinolylsulfonyl)indoline-5-carbonitrile CAS Name: 3-(2-ethoxyphenyl)-3-[4-(3-methyl-4-pyridinyl)-1-piperazinyl]-2-oxo-1-(8-quinolinylsulfonyl)-5-indolecarbonitrile IUPAC Name: 3-(2-ethoxyphenyl)-3-[4-(3-methylpyridin-4-yl)piperazin-1-yl]-2-oxo-1-quinolin-8-ylsulfonylindole-5-carbonitrile Traditional Name: 2-keto-3-[4-(3-methyl-4-pyridyl)piperazino]-3-o-phenetyl-1-(8-quinolylsulfonyl)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=C4N=CC=C5)N6CCN(CC6)C7=C(C=NC=C7)C

Isomeric SMILES

CCOC1=CC=CC=C1C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)N6CCN(CC6)C7=C(C=NC=C7)C

InChI

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