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

Systemtic Name: 3-(2-ethoxypyridin-3-yl)-2-oxidanylidene-1-(phenylsulfonyl)-3-[(4-piperazin-1-ylphenyl)amino]indole-5-carbonitrile Openeye Name: 1-(benzenesulfonyl)-3-(2-ethoxy-3-pyridyl)-2-oxo-3-(4-piperazin-1-ylanilino)indoline-5-carbonitrile CAS Name: 1-(benzenesulfonyl)-3-(2-ethoxy-3-pyridinyl)-2-oxo-3-[4-(1-piperazinyl)anilino]-5-indolecarbonitrile IUPAC Name: 1-(benzenesulfonyl)-3-(2-ethoxypyridin-3-yl)-2-oxo-3-(4-piperazin-1-ylanilino)indole-5-carbonitrile Traditional Name: 1-besyl-3-(2-ethoxy-3-pyridyl)-2-keto-3-(4-piperazinoanilino)indoline-5-carbonitrile Formula: C32H30N6O4S MolecularWeight: 594.6834

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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)NC5=CC=C(C=C5)N6CCNCC6

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)NC5=CC=C(C=C5)N6CCNCC6

InChI

InChI=1S/C32H30N6O4S/c1-2-42-30-27(9-6-16-35-30)32(36-24-11-13-25(14-12-24)37-19-17-34-18-20-37)28-21-23(22-33)10-15-29(28)38(31(32)39)43(40,41)26-7-4-3-5-8-26/h3-16,21,34,36H,2,17-20H2,1H3