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

Systemtic Name: ethyl 4-[[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]sulfamoyl]benzoate CAS Name: 4-[[3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]phenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]sulfamoyl]benzoate Traditional Name: 4-[[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]phenyl]sulfamoyl]benzoic acid ethyl ester Formula: C27H26N4O6S MolecularWeight: 534.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H26N4O6S/c1-4-37-27(34)19-13-15-23(16-14-19)38(35,36)29-21-10-8-9-20(17-21)25(32)28-24-18(2)30(3)31(26(24)33)22-11-6-5-7-12-22/h5-17,29H,4H2,1-3H3,(H,28,32)