2-(cyanomethylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 2-(cyanomethylthio)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 2-(cyanomethylthio)-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H19N3O3S2/c20-10-13-26-18-9-2-1-8-17(18)19(23)21-15-6-5-7-16(14-15)27(24,25)22-11-3-4-12-22/h1-2,5-9,14H,3-4,11-13H2,(H,21,23)