4-(2-chloranyl-4-methylsulfonyl-3-phenylmethoxy-phenyl)carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-(2-chloranyl-4-methylsulfonyl-3-phenylmethoxy-phenyl)carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(3-benzyloxy-2-chloro-4-methylsulfonyl-benzoyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(2-chloro-4-methylsulfonyl-3-phenylmethoxyphenyl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(2-chloro-4-methylsulfonyl-3-phenylmethoxybenzoyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(3-benzoxy-2-chloro-4-mesyl-benzoyl)-2-ethyl-3-pyrazolin-3-one Formula: C20H19ClN2O5S MolecularWeight: 434.89326

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)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H19ClN2O5S/c1-3-23-20(25)15(11-22-23)18(24)14-9-10-16(29(2,26)27)19(17(14)21)28-12-13-7-5-4-6-8-13/h4-11,22H,3,12H2,1-2H3