(5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 3,4-dimethylbenzoate

Systemtic Name: (5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 3,4-dimethylbenzoate Openeye Name: (5-amino-1-methylsulfonyl-pyrazol-3-yl) 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid (5-amino-1-methylsulfonyl-3-pyrazolyl) ester IUPAC Name: (5-amino-1-methylsulfonylpyrazol-3-yl) 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (5-amino-1-mesyl-pyrazol-3-yl) ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C)C

InChI

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