5-[(4-methoxyphenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(4-methoxyphenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(4-methoxyphenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(4-methoxyphenyl)sulfonyl-methylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(4-methoxyphenyl)sulfonyl-methylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(4-methoxyphenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5S/c1-15-12(11(8-14-15)13(17)18)16(2)22(19,20)10-6-4-9(21-3)5-7-10/h4-8H,1-3H3,(H,17,18)