3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[oxo-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C18H22N4O4S/c1-2-3-14-4-6-15(7-5-14)27(25,26)22-12-10-21(11-13-22)18(24)16-8-9-17(23)20-19-16/h4-9H,2-3,10-13H2,1H3,(H,20,23)