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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(C[NH+]2CCCC2)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N(C[C@H](C[NH+]2CCCC2)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/c1-26-20-12-6-5-11-19(20)22(16-17(23)15-21-13-7-8-14-21)27(24,25)18-9-3-2-4-10-18/h2-6,9-12,17,23H,7-8,13-16H2,1H3/p+1/t17-/m0/s1