(2-methylquinolin-8-yl) 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate

Systemtic Name: (2-methylquinolin-8-yl) 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate Openeye Name: (2-methyl-8-quinolyl) 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate CAS Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylsulfamoyl]benzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoate Traditional Name: 3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-sulfamoyl]benzoic acid (2-methyl-8-quinolyl) ester Formula: C29H26N4O5S MolecularWeight: 542.60554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C=C1

InChI

InChI=1S/C29H26N4O5S/c1-19-16-17-21-10-9-15-25(26(21)30-19)38-29(35)22-11-8-14-24(18-22)39(36,37)32(4)27-20(2)31(3)33(28(27)34)23-12-6-5-7-13-23/h5-18H,1-4H3