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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C

InChI

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