N-(3-methylphenyl)-N-(2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl)benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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