3-(6-chloranyl-2-ethoxy-pyridin-3-yl)-3-[4-(2-methylpyridin-4-yl)piperazin-1-yl]-2-oxidanylidene-1-quinolin-8-ylsulfonyl-indole-5-carbonitrile

Systemtic Name: 3-(6-chloranyl-2-ethoxy-pyridin-3-yl)-3-[4-(2-methylpyridin-4-yl)piperazin-1-yl]-2-oxidanylidene-1-quinolin-8-ylsulfonyl-indole-5-carbonitrile Openeye Name: 3-(6-chloro-2-ethoxy-3-pyridyl)-3-[4-(2-methyl-4-pyridyl)piperazin-1-yl]-2-oxo-1-(8-quinolylsulfonyl)indoline-5-carbonitrile CAS Name: 3-(6-chloro-2-ethoxy-3-pyridinyl)-3-[4-(2-methyl-4-pyridinyl)-1-piperazinyl]-2-oxo-1-(8-quinolinylsulfonyl)-5-indolecarbonitrile IUPAC Name: 3-(6-chloro-2-ethoxypyridin-3-yl)-3-[4-(2-methylpyridin-4-yl)piperazin-1-yl]-2-oxo-1-quinolin-8-ylsulfonylindole-5-carbonitrile Traditional Name: 3-(6-chloro-2-ethoxy-3-pyridyl)-2-keto-3-[4-(2-methyl-4-pyridyl)piperazino]-1-(8-quinolylsulfonyl)indoline-5-carbonitrile Formula: C35H30ClN7O4S MolecularWeight: 680.1752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=N1)Cl)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)C

Isomeric SMILES

CCOC1=C(C=CC(=N1)Cl)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)C

InChI

InChI=1S/C35H30ClN7O4S/c1-3-47-33-27(10-12-31(36)40-33)35(42-18-16-41(17-19-42)26-13-15-38-23(2)20-26)28-21-24(22-37)9-11-29(28)43(34(35)44)48(45,46)30-8-4-6-25-7-5-14-39-32(25)30/h4-15,20-21H,3,16-19H2,1-2H3