[1-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-[4-[(6-chloro-3-pyridazinyl)sulfamoyl]anilino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]propyl ester Formula: C20H18ClN5O5S MolecularWeight: 475.90542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H18ClN5O5S/c1-2-16(31-20(28)13-4-3-11-22-12-13)19(27)23-14-5-7-15(8-6-14)32(29,30)26-18-10-9-17(21)24-25-18/h3-12,16H,2H2,1H3,(H,23,27)(H,25,26)