2-[4-chloranyl-4-(3-chlorophenyl)-2-(4-sulfamoylphenyl)-3H-pyrazol-5-yl]propanoic acid

Systemtic Name: 2-[4-chloranyl-4-(3-chlorophenyl)-2-(4-sulfamoylphenyl)-3H-pyrazol-5-yl]propanoic acid Openeye Name: 2-[4-chloro-4-(3-chlorophenyl)-2-(4-sulfamoylphenyl)-3H-pyrazol-5-yl]propanoic acid CAS Name: 2-[4-chloro-4-(3-chlorophenyl)-2-(4-sulfamoylphenyl)-3H-pyrazol-5-yl]propanoic acid IUPAC Name: 2-[4-chloro-4-(3-chlorophenyl)-2-(4-sulfamoylphenyl)-3H-pyrazol-5-yl]propanoic acid Traditional Name: 2-[4-chloro-4-(3-chlorophenyl)-1-(4-sulfamoylphenyl)-2-pyrazolin-3-yl]propionic acid Formula: C18H17Cl2N3O4S MolecularWeight: 442.31628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN(CC1(C2=CC(=CC=C2)Cl)Cl)C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC(C1=NN(CC1(C2=CC(=CC=C2)Cl)Cl)C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C18H17Cl2N3O4S/c1-11(17(24)25)16-18(20,12-3-2-4-13(19)9-12)10-23(22-16)14-5-7-15(8-6-14)28(21,26)27/h2-9,11H,10H2,1H3,(H,24,25)(H2,21,26,27)