(5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 4-methoxybenzoate

Systemtic Name: (5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 4-methoxybenzoate Openeye Name: (5-amino-1-methylsulfonyl-pyrazol-3-yl) 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid (5-amino-1-methylsulfonyl-3-pyrazolyl) ester IUPAC Name: (5-amino-1-methylsulfonylpyrazol-3-yl) 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (5-amino-1-mesyl-pyrazol-3-yl) ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C

InChI

InChI=1S/C12H13N3O5S/c1-19-9-5-3-8(4-6-9)12(16)20-11-7-10(13)15(14-11)21(2,17)18/h3-7H,13H2,1-2H3