[2-[[2-(diethylamino)-5-sulfamoyl-phenyl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[[2-(diethylamino)-5-sulfamoyl-phenyl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[2-(diethylamino)-5-sulfamoyl-anilino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[2-(diethylamino)-5-sulfamoylanilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(diethylamino)-5-sulfamoylanilino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[2-(diethylamino)-5-sulfamoyl-anilino]-2-keto-ethyl] ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C18H22N4O5S/c1-3-22(4-2)16-6-5-14(28(19,25)26)11-15(16)21-17(23)12-27-18(24)13-7-9-20-10-8-13/h5-11H,3-4,12H2,1-2H3,(H,21,23)(H2,19,25,26)