[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[4-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-[4-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C16H16ClN3O5S/c1-20(2)26(23,24)13-5-3-12(4-6-13)19-15(21)10-25-16(22)11-7-8-18-14(17)9-11/h3-9H,10H2,1-2H3,(H,19,21)