(2S,5R)-2-heptyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolidine

Systemtic Name: (2S,5R)-2-heptyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolidine Openeye Name: (2S,5R)-2-heptyl-1-(p-tolylsulfonyl)-5-(trifluoromethyl)pyrrolidine CAS Name: (2S,5R)-2-heptyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolidine IUPAC Name: (2S,5R)-2-heptyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolidine Traditional Name: (2S,5R)-2-heptyl-1-tosyl-5-(trifluoromethyl)pyrrolidine Formula: C19H28F3NO2S MolecularWeight: 391.49133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C(F)(F)F

Isomeric SMILES

CCCCCCC[C@H]1CC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C(F)(F)F

InChI

InChI=1S/C19H28F3NO2S/c1-3-4-5-6-7-8-16-11-14-18(19(20,21)22)23(16)26(24,25)17-12-9-15(2)10-13-17/h9-10,12-13,16,18H,3-8,11,14H2,1-2H3/t16-,18+/m0/s1