2-(4-chloranyl-3-phenyl-1H-pyrazol-5-yl)-2-methyl-3-(4-sulfamoylphenyl)propanoic acid

Systemtic Name: 2-(4-chloranyl-3-phenyl-1H-pyrazol-5-yl)-2-methyl-3-(4-sulfamoylphenyl)propanoic acid Openeye Name: 2-(4-chloro-3-phenyl-1H-pyrazol-5-yl)-2-methyl-3-(4-sulfamoylphenyl)propanoic acid CAS Name: 2-(4-chloro-3-phenyl-1H-pyrazol-5-yl)-2-methyl-3-(4-sulfamoylphenyl)propanoic acid IUPAC Name: 2-(4-chloro-3-phenyl-1H-pyrazol-5-yl)-2-methyl-3-(4-sulfamoylphenyl)propanoic acid Traditional Name: 2-(4-chloro-3-phenyl-1H-pyrazol-5-yl)-2-methyl-3-(4-sulfamoylphenyl)propionic acid Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)S(=O)(=O)N)(C2=C(C(=NN2)C3=CC=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)S(=O)(=O)N)(C2=C(C(=NN2)C3=CC=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C19H18ClN3O4S/c1-19(18(24)25,11-12-7-9-14(10-8-12)28(21,26)27)17-15(20)16(22-23-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,23)(H,24,25)(H2,21,26,27)