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

Systemtic Name: N-[5-cyano-3-(2-ethoxyphenyl)-2-oxidanylidene-1-thiophen-3-ylsulfonyl-indol-3-yl]-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide Openeye Name: N-[5-cyano-3-(2-ethoxyphenyl)-2-oxo-1-(3-thienylsulfonyl)indolin-3-yl]-4-(5-cyano-2-pyridyl)piperazine-1-carboxamide CAS Name: N-[5-cyano-3-(2-ethoxyphenyl)-2-oxo-1-(3-thiophenylsulfonyl)-3-indolyl]-4-(5-cyano-2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[5-cyano-3-(2-ethoxyphenyl)-2-oxo-1-thiophen-3-ylsulfonylindol-3-yl]-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide Traditional Name: N-[5-cyano-2-keto-3-o-phenetyl-1-(3-thienylsulfonyl)indolin-3-yl]-4-(5-cyano-2-pyridyl)piperazine-1-carboxamide Formula: C32H27N7O5S2 MolecularWeight: 653.73068

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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)NC(=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)NC(=O)N5CCN(CC5)C6=NC=C(C=C6)C#N

InChI

InChI=1S/C32H27N7O5S2/c1-2-44-28-6-4-3-5-25(28)32(36-31(41)38-14-12-37(13-15-38)29-10-8-23(19-34)20-35-29)26-17-22(18-33)7-9-27(26)39(30(32)40)46(42,43)24-11-16-45-21-24/h3-11,16-17,20-21H,2,12-15H2,1H3,(H,36,41)