(2S,5S)-2-butyl-5-heptyl-1-(phenylsulfonyl)pyrrolidine

Systemtic Name: (2S,5S)-2-butyl-5-heptyl-1-(phenylsulfonyl)pyrrolidine Openeye Name: (2S,5S)-1-(benzenesulfonyl)-2-butyl-5-heptyl-pyrrolidine CAS Name: (2S,5S)-1-(benzenesulfonyl)-2-butyl-5-heptylpyrrolidine IUPAC Name: (2S,5S)-1-(benzenesulfonyl)-2-butyl-5-heptylpyrrolidine Traditional Name: (2S,5S)-1-besyl-2-butyl-5-heptyl-pyrrolidine Formula: C21H35NO2S MolecularWeight: 365.5731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(N1S(=O)(=O)C2=CC=CC=C2)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO2S/c1-3-5-7-8-10-14-20-18-17-19(13-6-4-2)22(20)25(23,24)21-15-11-9-12-16-21/h9,11-12,15-16,19-20H,3-8,10,13-14,17-18H2,1-2H3/t19-,20-/m0/s1