3-[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]phenyl]propionic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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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=C(C=C3)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-14-19(20(26)23(22(14)2)16-6-4-3-5-7-16)21-29(27,28)17-11-8-15(9-12-17)10-13-18(24)25/h3-9,11-12,21H,10,13H2,1-2H3,(H,24,25)