4-(piperidin-1-ium-1-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

Systemtic Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Openeye Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide CAS Name: 4-(1-piperidin-1-iumylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide IUPAC Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O3S/c22-28(26,27)20-10-6-17(7-11-20)12-13-23-21(25)19-8-4-18(5-9-19)16-24-14-2-1-3-15-24/h4-11H,1-3,12-16H2,(H,23,25)(H2,22,26,27)/p+1