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

Systemtic Name: 5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]pentanenitrile Openeye Name: 5-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]pentanenitrile CAS Name: 5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]pentanenitrile IUPAC Name: 5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pentanenitrile Traditional Name: 5-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]valeronitrile Formula: C22H25FN2O2S MolecularWeight: 400.509503

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)CCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O2S/c1-17-6-13-21(14-7-17)28(26,27)25-20(5-3-2-4-16-24)12-15-22(25)18-8-10-19(23)11-9-18/h6-11,13-14,20,22H,2-5,12,15H2,1H3