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

Systemtic Name: 3-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]phenyl]propionic acid Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H25N3O4S/c1-16-21(17(2)25(23-16)19-7-5-4-6-8-19)15-24(3)30(28,29)20-12-9-18(10-13-20)11-14-22(26)27/h4-10,12-13H,11,14-15H2,1-3H3,(H,26,27)