5-(4-methylphenyl)-2-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid; propan-2-ol

Systemtic Name: 5-(4-methylphenyl)-2-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid; propan-2-ol Openeye Name: propan-2-ol; 5-(p-tolyl)-2-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid CAS Name: 5-(4-methylphenyl)-2-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid; 2-propanol IUPAC Name: 5-(4-methylphenyl)-2-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid; propan-2-ol Traditional Name: propan-2-ol; 5-(p-tolyl)-2-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S.C3H8O/c1-11-2-4-12(5-3-11)15-10-16(17(21)22)20(19-15)13-6-8-14(9-7-13)25(18,23)24;1-3(2)4/h2-10H,1H3,(H,21,22)(H2,18,23,24);3-4H,1-2H3