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

Systemtic Name: 3-[4-[(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(5-isopropyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-yl-4-pyrazolyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(5-isopropyl-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]phenyl]propionic acid Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H25N3O5S/c1-15(2)21-20(22(28)25(24(21)3)17-7-5-4-6-8-17)23-31(29,30)18-12-9-16(10-13-18)11-14-19(26)27/h4-10,12-13,15,23H,11,14H2,1-3H3,(H,26,27)