3-[4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-5-methyl-pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-5-methyl-pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-5-methyl-pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-methyl-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[5-methyl-4-(4-p-phenetylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one Formula: C21H24N6O5S MolecularWeight: 472.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C

InChI

InChI=1S/C21H24N6O5S/c1-3-32-16-4-6-17(7-5-16)33(30,31)26-12-10-25(11-13-26)21(29)18-14-22-27(15(18)2)19-8-9-20(28)24-23-19/h4-9,14H,3,10-13H2,1-2H3,(H,24,28)