2-methyl-5-[(phenylmethyl)sulfamoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-methyl-5-[(phenylmethyl)sulfamoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 5-(benzylsulfamoyl)-2-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-methyl-5-[(phenylmethyl)sulfamoyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 5-(benzylsulfamoyl)-2-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 5-(benzylsulfamoyl)-2-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C27H31N3O3S/c1-21-13-14-25(34(32,33)29-18-22-9-3-2-4-10-22)17-26(21)27(31)28-19-23-11-5-6-12-24(23)20-30-15-7-8-16-30/h2-6,9-14,17,29H,7-8,15-16,18-20H2,1H3,(H,28,31)/p+1