2-tert-butyl-4-[2-methyl-4-methylsulfonyl-3-(2-propan-2-yloxyphenyl)phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4-[2-methyl-4-methylsulfonyl-3-(2-propan-2-yloxyphenyl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[3-(2-isopropoxyphenyl)-2-methyl-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[2-methyl-4-methylsulfonyl-3-(2-propan-2-yloxyphenyl)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[2-methyl-4-methylsulfonyl-3-(2-propan-2-yloxyphenyl)benzoyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[3-(2-isopropoxyphenyl)-4-mesyl-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC=CC=C2OC(C)C)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC=CC=C2OC(C)C)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)(C)C

InChI

InChI=1S/C25H30N2O5S/c1-15(2)32-20-11-9-8-10-18(20)22-16(3)17(12-13-21(22)33(7,30)31)23(28)19-14-26-27(24(19)29)25(4,5)6/h8-15,26H,1-7H3