[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H17N3O5S/c1-28(25,26)17-5-2-4-15(12-17)21-18(23)13-27-19(24)14-6-8-16(9-7-14)22-11-3-10-20-22/h2-12H,13H2,1H3,(H,21,23)