2-(2-methoxyethyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 2-(2-methoxyethyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-pyridazin-3-one Openeye Name: 2-(2-methoxyethyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one CAS Name: 2-(2-methoxyethyl)-6-[oxo-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]-3-pyridazinone IUPAC Name: 2-(2-methoxyethyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one Traditional Name: 6-(4-mesitylsulfonylpiperazine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)CCOC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)CCOC)C

InChI

InChI=1S/C21H28N4O5S/c1-15-13-16(2)20(17(3)14-15)31(28,29)24-9-7-23(8-10-24)21(27)18-5-6-19(26)25(22-18)11-12-30-4/h5-6,13-14H,7-12H2,1-4H3