[5-cyano-3-(2-ethoxyphenyl)-2-oxidanylidene-1-thiophen-3-ylsulfonyl-indol-3-yl] 4-(5-cyanopyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [5-cyano-3-(2-ethoxyphenyl)-2-oxidanylidene-1-thiophen-3-ylsulfonyl-indol-3-yl] 4-(5-cyanopyridin-2-yl)piperazine-1-carboxylate Openeye Name: [5-cyano-3-(2-ethoxyphenyl)-2-oxo-1-(3-thienylsulfonyl)indolin-3-yl] 4-(5-cyano-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-cyano-2-pyridinyl)-1-piperazinecarboxylic acid [5-cyano-3-(2-ethoxyphenyl)-2-oxo-1-(3-thiophenylsulfonyl)-3-indolyl] ester IUPAC Name: [5-cyano-3-(2-ethoxyphenyl)-2-oxo-1-thiophen-3-ylsulfonylindol-3-yl] 4-(5-cyanopyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-cyano-2-pyridyl)piperazine-1-carboxylic acid [5-cyano-2-keto-3-o-phenetyl-1-(3-thienylsulfonyl)indolin-3-yl] ester Formula: C32H26N6O6S2 MolecularWeight: 654.71544

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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=CSC=C4)OC(=O)N5CCN(CC5)C6=NC=C(C=C6)C#N

Isomeric SMILES

CCOC1=CC=CC=C1C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CSC=C4)OC(=O)N5CCN(CC5)C6=NC=C(C=C6)C#N

InChI

InChI=1S/C32H26N6O6S2/c1-2-43-28-6-4-3-5-25(28)32(44-31(40)37-14-12-36(13-15-37)29-10-8-23(19-34)20-35-29)26-17-22(18-33)7-9-27(26)38(30(32)39)46(41,42)24-11-16-45-21-24/h3-11,16-17,20-21H,2,12-15H2,1H3