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

Systemtic Name: 3-[3-methyl-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]naphthalene-2-carboxylic acid Openeye Name: 3-[3-methyl-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]naphthalene-2-carboxylic acid CAS Name: 3-[3-methyl-5-[oxo-[4-(2-sulfamoylphenyl)anilino]methyl]-1-pyrazolyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-[3-methyl-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]naphthalene-2-carboxylic acid Traditional Name: 3-[3-methyl-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]-2-naphthoic acid Formula: C28H22N4O5S MolecularWeight: 526.56308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22N4O5S/c1-17-14-25(32(31-17)24-16-20-7-3-2-6-19(20)15-23(24)28(34)35)27(33)30-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(29,36)37/h2-16H,1H3,(H,30,33)(H,34,35)(H2,29,36,37)