4-(dimethylsulfamoyl)-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]benzamide

Systemtic Name: 4-(dimethylsulfamoyl)-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]benzamide Openeye Name: 4-(dimethylsulfamoyl)-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]benzamide CAS Name: 4-(dimethylsulfamoyl)-N-[4-(4-pyridin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 4-(dimethylsulfamoyl)-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]benzamide Traditional Name: 4-(dimethylsulfamoyl)-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]benzamide Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=[NH+]C=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=[NH+]C=C3

InChI

InChI=1S/C21H21N3O3S/c1-24(2)28(26,27)20-9-5-18(6-10-20)21(25)23-19-7-3-16(4-8-19)15-17-11-13-22-14-12-17/h3-14H,15H2,1-2H3,(H,23,25)/p+1