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

Systemtic Name: 4-[(2-methylphenyl)sulfamoyl]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(o-tolylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[(2-methylphenyl)sulfamoyl]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(2-methylphenyl)sulfamoyl]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(o-tolylsulfamoyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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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+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C27H31N3O3S/c1-21-7-3-4-8-26(21)29-34(32,33)25-15-13-24(14-16-25)27(31)28-19-22-9-11-23(12-10-22)20-30-17-5-2-6-18-30/h3-4,7-16,29H,2,5-6,17-20H2,1H3,(H,28,31)/p+1