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

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(3-oxidanylpiperidin-1-yl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(3-hydroxy-1-piperidyl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(3-hydroxy-1-piperidinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(3-hydroxypiperidin-1-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(3-hydroxypiperidino)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O5S/c1-3-22-18(25)13(9-20-22)17(24)12-6-7-14(28(2,26)27)16(15(12)19)21-8-4-5-11(23)10-21/h6-7,9,11,20,23H,3-5,8,10H2,1-2H3