3-(2-ethoxy-5-methoxy-phenyl)-2-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)-1-quinolin-8-ylsulfonyl-indole-5-carbonitrile

Systemtic Name: 3-(2-ethoxy-5-methoxy-phenyl)-2-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)-1-quinolin-8-ylsulfonyl-indole-5-carbonitrile Openeye Name: 3-(2-ethoxy-5-methoxy-phenyl)-2-oxo-3-[4-(4-pyridyl)piperazin-1-yl]-1-(8-quinolylsulfonyl)indoline-5-carbonitrile CAS Name: 3-(2-ethoxy-5-methoxyphenyl)-2-oxo-3-(4-pyridin-4-yl-1-piperazinyl)-1-(8-quinolinylsulfonyl)-5-indolecarbonitrile IUPAC Name: 3-(2-ethoxy-5-methoxyphenyl)-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)-1-quinolin-8-ylsulfonylindole-5-carbonitrile Traditional Name: 3-(2-ethoxy-5-methoxy-phenyl)-2-keto-3-[4-(4-pyridyl)piperazino]-1-(8-quinolylsulfonyl)indoline-5-carbonitrile Formula: C36H32N6O5S MolecularWeight: 660.74148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)OC)C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)N6CCN(CC6)C7=CC=NC=C7

Isomeric SMILES

CCOC1=C(C=C(C=C1)OC)C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)N6CCN(CC6)C7=CC=NC=C7

InChI

InChI=1S/C36H32N6O5S/c1-3-47-32-12-10-28(46-2)23-30(32)36(41-20-18-40(19-21-41)27-13-16-38-17-14-27)29-22-25(24-37)9-11-31(29)42(35(36)43)48(44,45)33-8-4-6-26-7-5-15-39-34(26)33/h4-17,22-23H,3,18-21H2,1-2H3