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

Systemtic Name: N-(4-methoxyphenyl)-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-(4-methoxyphenyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-N-(4-methoxyphenyl)benzenesulfonamide Formula: C20H27N2O4S+ MolecularWeight: 391.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(C[NH+]2CCCC2)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N(C[C@H](C[NH+]2CCCC2)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/c1-26-19-11-9-17(10-12-19)22(16-18(23)15-21-13-5-6-14-21)27(24,25)20-7-3-2-4-8-20/h2-4,7-12,18,23H,5-6,13-16H2,1H3/p+1/t18-/m0/s1