2-[(2-ethylpyrazol-3-yl)amino]-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-[(2-ethylpyrazol-3-yl)amino]-5-methylsulfonyl-benzoic acid Openeye Name: 2-[(2-ethylpyrazol-3-yl)amino]-5-methylsulfonyl-benzoic acid CAS Name: 2-[(2-ethyl-3-pyrazolyl)amino]-5-methylsulfonylbenzoic acid IUPAC Name: 2-[(2-ethylpyrazol-3-yl)amino]-5-methylsulfonylbenzoic acid Traditional Name: 2-[(2-ethylpyrazol-3-yl)amino]-5-mesyl-benzoic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)NC2=C(C=C(C=C2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CCN1C(=CC=N1)NC2=C(C=C(C=C2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-3-16-12(6-7-14-16)15-11-5-4-9(21(2,19)20)8-10(11)13(17)18/h4-8,15H,3H2,1-2H3,(H,17,18)