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

Systemtic Name: 4-methyl-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]-4-methyl-N-(p-tolyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-4-methyl-N-(p-tolyl)benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-17-5-9-19(10-6-17)23(16-20(24)15-22-13-3-4-14-22)27(25,26)21-11-7-18(2)8-12-21/h5-12,20,24H,3-4,13-16H2,1-2H3/p+1/t20-/m0/s1