N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N

InChI

InChI=1S/C20H21N3O3S2/c21-12-5-15-27-19-7-2-1-6-18(19)22-20(24)16-8-10-17(11-9-16)28(25,26)23-13-3-4-14-23/h1-2,6-11H,3-5,13-15H2,(H,22,24)