N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-methyl-5-(p-tolylsulfamoyl)benzamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-methyl-5-(p-tolylsulfamoyl)benzamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-15-3-6-18(7-4-15)25-31(29,30)19-8-5-16(2)20(13-19)22(28)24-17-9-11-26(12-10-17)14-21(23)27/h3-8,13,17,25H,9-12,14H2,1-2H3,(H2,23,27)(H,24,28)/p+1