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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: (2-amino-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-amino-2-oxoethyl) ester IUPAC Name: (2-amino-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-amino-2-keto-ethyl) ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N

InChI

InChI=1S/C20H20N4O6S/c1-13-18(19(26)24(23(13)2)15-8-4-3-5-9-15)22-31(28,29)16-10-6-7-14(11-16)20(27)30-12-17(21)25/h3-11,22H,12H2,1-2H3,(H2,21,25)