N-phenyl-2-[3-[[(phenylmethyl)sulfonylamino]carbamoyl]pyridin-1-ium-1-yl]ethanamide chloride

Systemtic Name: N-phenyl-2-[3-[[(phenylmethyl)sulfonylamino]carbamoyl]pyridin-1-ium-1-yl]ethanamide chloride Openeye Name: 2-[3-[(benzylsulfonylamino)carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-acetamide chloride CAS Name: 2-[3-[oxo-[(phenylmethyl)sulfonylhydrazo]methyl]-1-pyridin-1-iumyl]-N-phenylacetamide chloride IUPAC Name: 2-[3-[(benzylsulfonylamino)carbamoyl]pyridin-1-ium-1-yl]-N-phenylacetamide chloride Traditional Name: 2-[3-[(benzylsulfonylamino)carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-acetamide chloride Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H20N4O4S.ClH/c26-20(22-19-11-5-2-6-12-19)15-25-13-7-10-18(14-25)21(27)23-24-30(28,29)16-17-8-3-1-4-9-17;/h1-14,24H,15-16H2,(H-,22,23,26,27);1H