2-butan-2-yl-4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-butan-2-yl-4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-sec-butyl-1H-pyrazol-3-one CAS Name: 2-butan-2-yl-4-[[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-butan-2-yl-4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 4-[4-mesyl-3-(4-methoxyphenyl)-2-methyl-benzoyl]-2-sec-butyl-3-pyrazolin-3-one Formula: C23H26N2O5S MolecularWeight: 442.52794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC(C)N1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H26N2O5S/c1-6-14(2)25-23(27)19(13-24-25)22(26)18-11-12-20(31(5,28)29)21(15(18)3)16-7-9-17(30-4)10-8-16/h7-14,24H,6H2,1-5H3