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

Systemtic Name: 3-(2-ethoxyphenyl)-1-(5-fluoranylquinolin-8-yl)sulfonyl-2-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile Openeye Name: 3-(2-ethoxyphenyl)-1-[(5-fluoro-8-quinolyl)sulfonyl]-2-oxo-3-[4-(4-pyridyl)piperazin-1-yl]indoline-5-carbonitrile CAS Name: 3-(2-ethoxyphenyl)-1-[(5-fluoro-8-quinolinyl)sulfonyl]-2-oxo-3-(4-pyridin-4-yl-1-piperazinyl)-5-indolecarbonitrile IUPAC Name: 3-(2-ethoxyphenyl)-1-(5-fluoroquinolin-8-yl)sulfonyl-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile Traditional Name: 1-[(5-fluoro-8-quinolyl)sulfonyl]-2-keto-3-o-phenetyl-3-[4-(4-pyridyl)piperazino]indoline-5-carbonitrile Formula: C35H29FN6O4S MolecularWeight: 648.705963

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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=C5C(=C(C=C4)F)C=CC=N5)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=C5C(=C(C=C4)F)C=CC=N5)N6CCN(CC6)C7=CC=NC=C7

InChI

InChI=1S/C35H29FN6O4S/c1-2-46-31-8-4-3-7-27(31)35(41-20-18-40(19-21-41)25-13-16-38-17-14-25)28-22-24(23-37)9-11-30(28)42(34(35)43)47(44,45)32-12-10-29(36)26-6-5-15-39-33(26)32/h3-17,22H,2,18-21H2,1H3