3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[oxo-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3)C)C

InChI

InChI=1S/C20H26N4O4S/c1-12-13(2)15(4)19(16(5)14(12)3)29(27,28)24-10-8-23(9-11-24)20(26)17-6-7-18(25)22-21-17/h6-7H,8-11H2,1-5H3,(H,22,25)