[1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid [1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 6-keto-1-methyl-4,5-dihydropyridazine-3-carboxylic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H25ClN4O6S MolecularWeight: 484.9537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=NN(C(=O)CC3)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=NN(C(=O)CC3)C

InChI

InChI=1S/C20H25ClN4O6S/c1-13(31-20(28)16-8-9-18(26)24(2)23-16)19(27)22-17-12-14(6-7-15(17)21)32(29,30)25-10-4-3-5-11-25/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,22,27)