2-[3-[azanyl-(4-methylphenyl)sulfonyl-carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-ethanamide chloride

Systemtic Name: 2-[3-[azanyl-(4-methylphenyl)sulfonyl-carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-ethanamide chloride Openeye Name: 2-[3-[amino(p-tolylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-acetamide chloride CAS Name: 2-[3-[[amino-(4-methylphenyl)sulfonylamino]-oxomethyl]-1-pyridin-1-iumyl]-N-phenylacetamide chloride IUPAC Name: 2-[3-[amino-(4-methylphenyl)sulfonylcarbamoyl]pyridin-1-ium-1-yl]-N-phenylacetamide chloride Traditional Name: 2-[3-[amino(tosyl)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:

CC1=CC=C(C=C1)S(=O)(=O)N(C(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=CC=C3)N.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=CC=C3)N.[Cl-]

InChI

InChI=1S/C21H20N4O4S.ClH/c1-16-9-11-19(12-10-16)30(28,29)25(22)21(27)17-6-5-13-24(14-17)15-20(26)23-18-7-3-2-4-8-18;/h2-14H,15,22H2,1H3;1H