3-[3,4-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[3,4-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[3,4-dimethyl-5-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-1H-pyridazin-6-one CAS Name: 3-[3,4-dimethyl-5-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[3,4-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one Traditional Name: 3-[3,4-dimethyl-5-(2-methylpiperidino)sulfonyl-phenyl]-1H-pyridazin-6-one Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=CC(=C2C)C)C3=NNC(=O)C=C3

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=CC(=C2C)C)C3=NNC(=O)C=C3

InChI

InChI=1S/C18H23N3O3S/c1-12-10-15(16-7-8-18(22)20-19-16)11-17(14(12)3)25(23,24)21-9-5-4-6-13(21)2/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,20,22)