N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(methylsulfonylamino)benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(methylsulfonylamino)benzamide Openeye Name: 2-(methanesulfonamido)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 2-(methanesulfonamido)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 2-(methanesulfonamido)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 2-(methanesulfonamido)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2NS(=O)(=O)C)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2NS(=O)(=O)C)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O4S/c1-28-17-11-9-16(10-12-17)20(24-13-5-6-14-24)15-22-21(25)18-7-3-4-8-19(18)23-29(2,26)27/h3-4,7-12,20,23H,5-6,13-15H2,1-2H3,(H,22,25)/p+1/t20-/m0/s1