1-methyl-5-(phenethylsulfonylamino)pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-(phenethylsulfonylamino)pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-(phenethylsulfonylamino)pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-(phenethylsulfonylamino)-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-(phenethylsulfonylamino)pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-(phenethylsulfonylamino)pyrazole-4-carboxylic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)CCC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O4S/c1-16-12(11(9-14-16)13(17)18)15-21(19,20)8-7-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,17,18)