3-[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]propanoate

Systemtic Name: 3-[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]propanoate Openeye Name: 3-[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-(4-sulfamoylphenyl)-4-pyrazolyl]propanoate IUPAC Name: 3-[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]propionate Formula: C14H16N3O4S- MolecularWeight: 322.35954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C)CCC(=O)[O-]

InChI

InChI=1S/C14H17N3O4S/c1-9-13(7-8-14(18)19)10(2)17(16-9)11-3-5-12(6-4-11)22(15,20)21/h3-6H,7-8H2,1-2H3,(H,18,19)(H2,15,20,21)/p-1