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

Systemtic Name: ethyl 5-azanyl-3-methylsulfonyl-1-(2-phenylethanoyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfonyl-1-(2-phenylacetyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-methylsulfonyl-1-(1-oxo-2-phenylethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfonyl-1-(2-phenylacetyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-mesyl-1-(2-phenylacetyl)pyrazole-4-carboxylic acid ethyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C)C(=O)CC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C)C(=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C15H17N3O5S/c1-3-23-15(20)12-13(16)18(17-14(12)24(2,21)22)11(19)9-10-7-5-4-6-8-10/h4-8H,3,9,16H2,1-2H3