3-cyano-N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]benzamide

Systemtic Name: 3-cyano-N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]benzamide Openeye Name: 3-cyano-N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]benzamide CAS Name: 3-cyano-N-[4-[methyl-(1-methyl-4-piperidin-1-iumyl)sulfamoyl]phenyl]benzamide IUPAC Name: 3-cyano-N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]benzamide Traditional Name: 3-cyano-N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]benzamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H24N4O3S/c1-24-12-10-19(11-13-24)25(2)29(27,28)20-8-6-18(7-9-20)23-21(26)17-5-3-4-16(14-17)15-22/h3-9,14,19H,10-13H2,1-2H3,(H,23,26)/p+1