tert-butyl 4-[[2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-isobutyl-6-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-isobutyl-3-keto-6-(4-mesylphenyl)pyridazin-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H36N4O5S MolecularWeight: 504.64214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)CN3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)CN3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36N4O5S/c1-18(2)16-29-23(30)20(15-22(26-29)19-7-9-21(10-8-19)35(6,32)33)17-27-11-13-28(14-12-27)24(31)34-25(3,4)5/h7-10,15,18H,11-14,16-17H2,1-6H3