methyl 3-azanyl-5-methylsulfonyl-1-(2-phenylethanoyl)pyrazole-4-carboxylate

Systemtic Name: methyl 3-azanyl-5-methylsulfonyl-1-(2-phenylethanoyl)pyrazole-4-carboxylate Openeye Name: methyl 3-amino-5-methylsulfonyl-1-(2-phenylacetyl)pyrazole-4-carboxylate CAS Name: 3-amino-5-methylsulfonyl-1-(1-oxo-2-phenylethyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-methylsulfonyl-1-(2-phenylacetyl)pyrazole-4-carboxylate Traditional Name: 3-amino-5-mesyl-1-(2-phenylacetyl)pyrazole-4-carboxylic acid methyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1N)C(=O)CC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(N(N=C1N)C(=O)CC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H15N3O5S/c1-22-14(19)11-12(15)16-17(13(11)23(2,20)21)10(18)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,15,16)