3-[5-[[2-fluoranyl-4-(2-sulfamoylphenyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-carboxylic acid

Systemtic Name: 3-[5-[[2-fluoranyl-4-(2-sulfamoylphenyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-carboxylic acid Openeye Name: 3-[5-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-carboxylic acid CAS Name: 3-[5-[[2-fluoro-4-(2-sulfamoylphenyl)anilino]-oxomethyl]-3-methyl-1-pyrazolyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-[5-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]carbamoyl]-3-methylpyrazol-1-yl]naphthalene-2-carboxylic acid Traditional Name: 3-[5-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]-2-naphthoic acid Formula: C28H21FN4O5S MolecularWeight: 544.553543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)F)C4=CC5=CC=CC=C5C=C4C(=O)O

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)F)C4=CC5=CC=CC=C5C=C4C(=O)O

InChI

InChI=1S/C28H21FN4O5S/c1-16-12-25(33(32-16)24-15-18-7-3-2-6-17(18)13-21(24)28(35)36)27(34)31-23-11-10-19(14-22(23)29)20-8-4-5-9-26(20)39(30,37)38/h2-15H,1H3,(H,31,34)(H,35,36)(H2,30,37,38)