5-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid Formula: C14H17N3O6S MolecularWeight: 355.36628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)N(C)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)N(C)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C14H17N3O6S/c1-16-13(10(8-15-16)14(18)19)17(2)24(20,21)9-5-6-11(22-3)12(7-9)23-4/h5-8H,1-4H3,(H,18,19)