3-[[4-(4-ethoxycarbonyl-5-methyl-pyrazol-1-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[4-(4-ethoxycarbonyl-5-methyl-pyrazol-1-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[4-(4-ethoxycarbonyl-5-methyl-pyrazol-1-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[4-(4-ethoxycarbonyl-5-methyl-1-pyrazolyl)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[4-(4-ethoxycarbonyl-5-methylpyrazol-1-yl)phenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[4-(4-carbethoxy-5-methyl-pyrazol-1-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C)C

InChI

InChI=1S/C21H21N3O6S/c1-4-30-21(27)18-12-22-24(14(18)3)17-9-7-16(8-10-17)23-31(28,29)19-11-15(20(25)26)6-5-13(19)2/h5-12,23H,4H2,1-3H3,(H,25,26)