3-[(4-methylphenyl)sulfamoyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3-[(4-methylphenyl)sulfamoyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(p-tolylsulfamoyl)benzamide CAS Name: 3-[(4-methylphenyl)sulfamoyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(p-tolylsulfamoyl)benzamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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