1-(8aH-quinolin-1-ylsulfonyl)-3-(2-ethoxyphenyl)-3-(3-methyl-4-pyridin-4-yl-piperazin-1-yl)-2-oxidanylidene-indole-5-carbonitrile

Systemtic Name: 1-(8aH-quinolin-1-ylsulfonyl)-3-(2-ethoxyphenyl)-3-(3-methyl-4-pyridin-4-yl-piperazin-1-yl)-2-oxidanylidene-indole-5-carbonitrile Openeye Name: 1-(8aH-quinolin-1-ylsulfonyl)-3-(2-ethoxyphenyl)-3-[3-methyl-4-(4-pyridyl)piperazin-1-yl]-2-oxo-indoline-5-carbonitrile CAS Name: 1-(8aH-quinolin-1-ylsulfonyl)-3-(2-ethoxyphenyl)-3-(3-methyl-4-pyridin-4-yl-1-piperazinyl)-2-oxo-5-indolecarbonitrile IUPAC Name: 1-(8aH-quinolin-1-ylsulfonyl)-3-(2-ethoxyphenyl)-3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-oxoindole-5-carbonitrile Traditional Name: 1-(8aH-quinolin-1-ylsulfonyl)-2-keto-3-[3-methyl-4-(4-pyridyl)piperazino]-3-o-phenetyl-indoline-5-carbonitrile Formula: C36H34N6O4S MolecularWeight: 646.75796

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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)N4C=CC=C5C4C=CC=C5)N6CCN(C(C6)C)C7=CC=NC=C7

Isomeric SMILES

CCOC1=CC=CC=C1C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)N4C=CC=C5C4C=CC=C5)N6CCN(C(C6)C)C7=CC=NC=C7

InChI

InChI=1S/C36H34N6O4S/c1-3-46-34-13-7-5-11-30(34)36(39-21-22-40(26(2)25-39)29-16-18-38-19-17-29)31-23-27(24-37)14-15-33(31)42(35(36)43)47(44,45)41-20-8-10-28-9-4-6-12-32(28)41/h4-20,23,26,32H,3,21-22,25H2,1-2H3