4-[(2-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[(2-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(o-tolylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[(2-methylphenyl)sulfamoyl]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(2-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(o-tolylsulfamoyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C26H29N3O3S/c1-20-6-2-3-7-25(20)28-33(31,32)24-14-12-23(13-15-24)26(30)27-18-21-8-10-22(11-9-21)19-29-16-4-5-17-29/h2-3,6-15,28H,4-5,16-19H2,1H3,(H,27,30)/p+1