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

Systemtic Name: [1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C32H36N4O6S MolecularWeight: 604.71644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

InChI

InChI=1S/C32H36N4O6S/c1-6-7-11-24-15-18-26(19-16-24)34-43(40,41)28-20-25(17-14-21(28)2)32(39)42-23(4)30(37)33-29-22(3)35(5)36(31(29)38)27-12-9-8-10-13-27/h8-10,12-20,23,34H,6-7,11H2,1-5H3,(H,33,37)