3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]propanenitrile

Systemtic Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]propanenitrile Openeye Name: 3-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]propanenitrile CAS Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]propanenitrile IUPAC Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propanenitrile Traditional Name: 3-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]propionitrile Formula: C20H21FN2O2S MolecularWeight: 372.456343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCC#N

InChI

InChI=1S/C20H21FN2O2S/c1-15-4-11-19(12-5-15)26(24,25)23-18(3-2-14-22)10-13-20(23)16-6-8-17(21)9-7-16/h4-9,11-12,18,20H,2-3,10,13H2,1H3