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

Systemtic Name: 5-[(3,4-dimethoxyphenyl)sulfonyl-ethyl-amino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(3,4-dimethoxyphenyl)sulfonyl-ethyl-amino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(3,4-dimethoxyphenyl)sulfonyl-ethylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3,4-dimethoxyphenyl)sulfonyl-ethylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(3,4-dimethoxyphenyl)sulfonyl-ethyl-amino]-1-methyl-pyrazole-4-carboxylic acid Formula: C15H19N3O6S MolecularWeight: 369.39286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=NN1C)C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCN(C1=C(C=NN1C)C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H19N3O6S/c1-5-18(14-11(15(19)20)9-16-17(14)2)25(21,22)10-6-7-12(23-3)13(8-10)24-4/h6-9H,5H2,1-4H3,(H,19,20)