N-(4-methylphenyl)-N-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-N-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-N-(4-methylphenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-N-(p-tolyl)benzenesulfonamide Formula: C20H27N2O3S+ MolecularWeight: 375.50498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH+]2CCCC2)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N(C[C@H](C[NH+]2CCCC2)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O3S/c1-17-9-11-18(12-10-17)22(16-19(23)15-21-13-5-6-14-21)26(24,25)20-7-3-2-4-8-20/h2-4,7-12,19,23H,5-6,13-16H2,1H3/p+1/t19-/m0/s1