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

Systemtic Name: 6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-pyridazin-3-one Openeye Name: 6-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-pyridazin-3-one CAS Name: 6-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propyl-3-pyridazinone IUPAC Name: 6-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-propylpyridazin-3-one Traditional Name: 6-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-pyridazin-3-one Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H26N4O4S/c1-4-9-24-19(25)8-7-17(21-24)20(26)22-10-12-23(13-11-22)29(27,28)18-14-15(2)5-6-16(18)3/h5-8,14H,4,9-13H2,1-3H3