1-[4-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[4-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-[4-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid CAS Name: 1-[4-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[4-(methylamino)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-mesylphenyl)-1-[4-(methylamino)phenyl]pyrazole-3-carboxylic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CNC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H17N3O4S/c1-19-13-5-7-14(8-6-13)21-17(11-16(20-21)18(22)23)12-3-9-15(10-4-12)26(2,24)25/h3-11,19H,1-2H3,(H,22,23)