4-[6-chloranyl-1-(methoxymethyl)-4-methylsulfonyl-cyclohexa-2,4-dien-1-yl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[6-chloranyl-1-(methoxymethyl)-4-methylsulfonyl-cyclohexa-2,4-dien-1-yl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[6-chloro-1-(methoxymethyl)-4-methylsulfonyl-cyclohexa-2,4-diene-1-carbonyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[6-chloro-1-(methoxymethyl)-4-methylsulfonyl-1-cyclohexa-2,4-dienyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[6-chloro-1-(methoxymethyl)-4-methylsulfonylcyclohexa-2,4-diene-1-carbonyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[6-chloro-4-mesyl-1-(methoxymethyl)cyclohexa-2,4-diene-1-carbonyl]-2-ethyl-3-pyrazolin-3-one Formula: C15H19ClN2O5S MolecularWeight: 374.83976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2(C=CC(=CC2Cl)S(=O)(=O)C)COC

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2(C=CC(=CC2Cl)S(=O)(=O)C)COC

InChI

InChI=1S/C15H19ClN2O5S/c1-4-18-14(20)11(8-17-18)13(19)15(9-23-2)6-5-10(7-12(15)16)24(3,21)22/h5-8,12,17H,4,9H2,1-3H3