propan-2-yl 4-[3-cyano-1-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[3-cyano-1-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[3-cyano-1-(4-methylsulfonylphenyl)-6-oxo-pyridazin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[3-cyano-1-(4-methylsulfonylphenyl)-6-oxo-4-pyridazinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-cyano-1-(4-methylsulfonylphenyl)-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[3-cyano-6-keto-1-(4-mesylphenyl)pyridazin-4-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(N=C2C#N)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(N=C2C#N)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H24N4O6S/c1-14(2)30-21(27)24-10-8-16(9-11-24)31-19-12-20(26)25(23-18(19)13-22)15-4-6-17(7-5-15)32(3,28)29/h4-7,12,14,16H,8-11H2,1-3H3