[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]-2-methylbenzoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]-2-methyl-benzoic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C30H31N5O7S MolecularWeight: 605.66144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C30H31N5O7S/c1-18-11-16-25(43(40,41)33-27-19(2)34(5)35(29(27)38)24-9-7-6-8-10-24)17-26(18)30(39)42-20(3)28(37)32-23-14-12-22(13-15-23)31-21(4)36/h6-17,20,33H,1-5H3,(H,31,36)(H,32,37)