[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C28H27N3O6S MolecularWeight: 533.59548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

InChI

InChI=1S/C28H27N3O6S/c1-18-13-14-21(15-19(18)2)25(32)17-37-28(34)22-9-8-12-24(16-22)38(35,36)29-26-20(3)30(4)31(27(26)33)23-10-6-5-7-11-23/h5-16,29H,17H2,1-4H3