4-[2-chloranyl-3-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-3-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(4,4-dimethyl-1-piperidyl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(4,4-dimethyl-1-piperidinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(4,4-dimethylpiperidino)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCC(CC3)(C)C)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCC(CC3)(C)C)Cl

InChI

InChI=1S/C20H26ClN3O4S/c1-5-24-19(26)14(12-22-24)18(25)13-6-7-15(29(4,27)28)17(16(13)21)23-10-8-20(2,3)9-11-23/h6-7,12,22H,5,8-11H2,1-4H3