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

Systemtic Name: 4-[2-chloranyl-3-(3-methylpiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(3-methyl-1-piperidyl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(3-methyl-1-piperidinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(3-methylpiperidin-1-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(3-methylpiperidino)benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C19H24ClN3O4S MolecularWeight: 425.92956

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)N3CCCC(C3)C)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCCC(C3)C)Cl

InChI

InChI=1S/C19H24ClN3O4S/c1-4-23-19(25)14(10-21-23)18(24)13-7-8-15(28(3,26)27)17(16(13)20)22-9-5-6-12(2)11-22/h7-8,10,12,21H,4-6,9,11H2,1-3H3