4-(ethylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(ethylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(ethylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(ethylsulfamoyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(ethylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(ethylsulfamoyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O3S/c1-2-23-28(26,27)20-11-9-19(10-12-20)21(25)22-15-17-5-7-18(8-6-17)16-24-13-3-4-14-24/h5-12,23H,2-4,13-16H2,1H3,(H,22,25)/p+1