4-[2-chloranyl-3-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-3-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(3,5-dimethyl-1-piperidyl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(3,5-dimethyl-1-piperidinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(3,5-dimethylpiperidino)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C20H26ClN3O4S MolecularWeight: 439.95614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CC(CC(C3)C)C)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CC(CC(C3)C)C)Cl

InChI

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