4-[(2-methoxyphenyl)-methyl-sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCCC3

Isomeric SMILES

CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCCC3

InChI

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