tert-butyl 4-[1-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-methylsulfonylphenyl)-6-oxo-pyridazin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[1-(4-methylsulfonylphenyl)-6-oxo-4-pyridazinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-methylsulfonylphenyl)-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-keto-1-(4-mesylphenyl)pyridazin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(N=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(N=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O6S/c1-21(2,3)30-20(26)23-11-9-16(10-12-23)29-17-13-19(25)24(22-14-17)15-5-7-18(8-6-15)31(4,27)28/h5-8,13-14,16H,9-12H2,1-4H3