4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-methoxy-3-(p-tolylsulfamoyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-methoxy-3-(p-tolylsulfamoyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC[NH+]3CCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC[NH+]3CCCC3)OC

InChI

InChI=1S/C21H27N3O4S/c1-16-5-8-18(9-6-16)23-29(26,27)20-15-17(7-10-19(20)28-2)21(25)22-11-14-24-12-3-4-13-24/h5-10,15,23H,3-4,11-14H2,1-2H3,(H,22,25)/p+1