2-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[2-[2-(cyanomethylthio)anilino]-2-oxoethoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[2-[2-(cyanomethylthio)anilino]-2-keto-ethoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3SCC#N)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3SCC#N)C(=O)N

InChI

InChI=1S/C21H22N4O5S2/c22-9-12-31-19-6-2-1-5-17(19)24-20(26)14-30-18-8-7-15(13-16(18)21(23)27)32(28,29)25-10-3-4-11-25/h1-2,5-8,13H,3-4,10-12,14H2,(H2,23,27)(H,24,26)