butyl 4-methyl-4-[[4-methyl-1-(4-methylsulfonylphenyl)-5-oxidanylidene-4H-pyrazol-3-yl]carbamoyl]-2-(2-phenylpropyl)hexanoate

Systemtic Name: butyl 4-methyl-4-[[4-methyl-1-(4-methylsulfonylphenyl)-5-oxidanylidene-4H-pyrazol-3-yl]carbamoyl]-2-(2-phenylpropyl)hexanoate Openeye Name: butyl 4-methyl-4-[[4-methyl-1-(4-methylsulfonylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2-(2-phenylpropyl)hexanoate CAS Name: 4-methyl-4-[[[4-methyl-1-(4-methylsulfonylphenyl)-5-oxo-4H-pyrazol-3-yl]amino]-oxomethyl]-2-(2-phenylpropyl)hexanoic acid butyl ester IUPAC Name: butyl 4-methyl-4-[[4-methyl-1-(4-methylsulfonylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2-(2-phenylpropyl)hexanoate Traditional Name: 4-[[5-keto-1-(4-mesylphenyl)-4-methyl-2-pyrazolin-3-yl]carbamoyl]-4-methyl-2-(2-phenylpropyl)hexanoic acid butyl ester Formula: C32H43N3O6S MolecularWeight: 597.76532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC(C)C1=CC=CC=C1)CC(C)(CC)C(=O)NC2=NN(C(=O)C2C)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C(CC(C)C1=CC=CC=C1)CC(C)(CC)C(=O)NC2=NN(C(=O)C2C)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C32H43N3O6S/c1-7-9-19-41-30(37)25(20-22(3)24-13-11-10-12-14-24)21-32(5,8-2)31(38)33-28-23(4)29(36)35(34-28)26-15-17-27(18-16-26)42(6,39)40/h10-18,22-23,25H,7-9,19-21H2,1-6H3,(H,33,34,38)