1-[(4-cyanophenyl)methyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-cyanophenyl)methyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-cyanophenyl)methyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-cyanophenyl)methyl]-N-(4-sulfamoylphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-cyanophenyl)methyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-cyanobenzyl)-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N4O3S/c21-13-15-1-3-16(4-2-15)14-24-11-9-17(10-12-24)20(25)23-18-5-7-19(8-6-18)28(22,26)27/h1-8,17H,9-12,14H2,(H,23,25)(H2,22,26,27)/p+1