N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-(methylthio)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC#N)C(=O)N3CCCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC#N)C(=O)N3CCCC3

InChI

InChI=1S/C20H21N3O3S2/c1-27-19-9-8-17(14-18(19)20(24)23-12-2-3-13-23)28(25,26)22-16-6-4-15(5-7-16)10-11-21/h4-9,14,22H,2-3,10,12-13H2,1H3