3-(2-ethoxypyridin-3-yl)-3-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanylidene-1-(phenylsulfonyl)indole-5-carbonitrile

Systemtic Name: 3-(2-ethoxypyridin-3-yl)-3-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanylidene-1-(phenylsulfonyl)indole-5-carbonitrile Openeye Name: 1-(benzenesulfonyl)-3-(2-ethoxy-3-pyridyl)-3-[2-[4-(1-methyl-4-piperidyl)piperazin-1-yl]-2-oxo-ethyl]-2-oxo-indoline-5-carbonitrile CAS Name: 1-(benzenesulfonyl)-3-(2-ethoxy-3-pyridinyl)-3-[2-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-2-oxoethyl]-2-oxo-5-indolecarbonitrile IUPAC Name: 1-(benzenesulfonyl)-3-(2-ethoxypyridin-3-yl)-3-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-oxoindole-5-carbonitrile Traditional Name: 1-besyl-3-(2-ethoxy-3-pyridyl)-2-keto-3-[2-keto-2-[4-(1-methyl-4-piperidyl)piperazino]ethyl]indoline-5-carbonitrile Formula: C34H38N6O5S MolecularWeight: 642.76772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6CCN(CC6)C

Isomeric SMILES

CCOC1=C(C=CC=N1)C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6CCN(CC6)C

InChI

InChI=1S/C34H38N6O5S/c1-3-45-32-28(10-7-15-36-32)34(23-31(41)39-20-18-38(19-21-39)26-13-16-37(2)17-14-26)29-22-25(24-35)11-12-30(29)40(33(34)42)46(43,44)27-8-5-4-6-9-27/h4-12,15,22,26H,3,13-14,16-21,23H2,1-2H3