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

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

CCCC(C#N)C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC(C#N)C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O2S/c1-3-4-18(15-24)22-14-13-21(17-7-9-19(23)10-8-17)25(22)28(26,27)20-11-5-16(2)6-12-20/h5-12,18,21-22H,3-4,13-14H2,1-2H3