2-tert-butyl-4-[(S)-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]-oxidanyl-methyl]-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4-[(S)-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]-oxidanyl-methyl]-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[(S)-hydroxy-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]methyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[(S)-hydroxy-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonylphenyl]methyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[(S)-hydroxy-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonylphenyl]methyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[(S)-hydroxy-[4-mesyl-3-(4-methoxyphenyl)-2-methyl-phenyl]methyl]-3-pyrazolin-3-one Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC=C(C=C2)OC)S(=O)(=O)C)C(C3=CNN(C3=O)C(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC=C(C=C2)OC)S(=O)(=O)C)[C@@H](C3=CNN(C3=O)C(C)(C)C)O

InChI

InChI=1S/C23H28N2O5S/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(31(6,28)29)20(14)15-7-9-16(30-5)10-8-15/h7-13,21,24,26H,1-6H3/t21-/m0/s1