3-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[benzyl-(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-1-methyl-pyrazole-4-carboxylic acid Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C19H19N3O5S/c1-21-13-17(19(23)24)18(20-21)22(12-14-6-4-3-5-7-14)28(25,26)16-10-8-15(27-2)9-11-16/h3-11,13H,12H2,1-2H3,(H,23,24)