4-[2-chloranyl-3-(3-methylpiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-3-(3-methylpiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(3-methyl-1-piperidyl)-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(3-methyl-1-piperidinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(3-methylpiperidin-1-yl)-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(3-methylpiperidino)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=CC(=C2Cl)C(=O)C3=CNN(C3=O)C)S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)C2=C(C=CC(=C2Cl)C(=O)C3=CNN(C3=O)C)S(=O)(=O)C

InChI

InChI=1S/C18H22ClN3O4S/c1-11-5-4-8-22(10-11)16-14(27(3,25)26)7-6-12(15(16)19)17(23)13-9-20-21(2)18(13)24/h6-7,9,11,20H,4-5,8,10H2,1-3H3