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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC[NH+]3CCCC3

InChI

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