3-[4-methyl-3-(3-methylpiperidin-1-yl)sulfonyl-phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-methyl-3-(3-methylpiperidin-1-yl)sulfonyl-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-methyl-3-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-methyl-3-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-methyl-3-(3-methylpiperidino)sulfonyl-phenyl]-1H-pyridazin-6-one Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C=C3)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C=C3)C

InChI

InChI=1S/C17H21N3O3S/c1-12-4-3-9-20(11-12)24(22,23)16-10-14(6-5-13(16)2)15-7-8-17(21)19-18-15/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,21)