(5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 2-methylbenzoate

Systemtic Name: (5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 2-methylbenzoate Openeye Name: (5-amino-1-methylsulfonyl-pyrazol-3-yl) 2-methylbenzoate CAS Name: 2-methylbenzoic acid (5-amino-1-methylsulfonyl-3-pyrazolyl) ester IUPAC Name: (5-amino-1-methylsulfonylpyrazol-3-yl) 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (5-amino-1-mesyl-pyrazol-3-yl) ester Formula: C12H13N3O4S MolecularWeight: 295.31432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C

InChI

InChI=1S/C12H13N3O4S/c1-8-5-3-4-6-9(8)12(16)19-11-7-10(13)15(14-11)20(2,17)18/h3-7H,13H2,1-2H3