3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3)C)C(C)(C)C

InChI

InChI=1S/C21H28N4O4S/c1-14-12-16(21(3,4)5)13-15(2)19(14)30(28,29)25-10-8-24(9-11-25)20(27)17-6-7-18(26)23-22-17/h6-7,12-13H,8-11H2,1-5H3,(H,23,26)