3-(2-cyanoethylsulfamoyl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3-(2-cyanoethylsulfamoyl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-(2-cyanoethylsulfamoyl)benzamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-3-(2-cyanoethylsulfamoyl)benzamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-3-(2-cyanoethylsulfamoyl)benzamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-(2-cyanoethylsulfamoyl)benzamide Formula: C23H28N5O4S+ MolecularWeight: 470.56452

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCCC#N)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCCC#N)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H27N5O4S/c24-12-5-13-25-33(31,32)21-9-4-6-18(16-21)23(30)27-20-10-14-28(15-11-20)17-22(29)26-19-7-2-1-3-8-19/h1-4,6-9,16,20,25H,5,10-11,13-15,17H2,(H,26,29)(H,27,30)/p+1