[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H20N4O6S/c1-20-11-13(10-18-20)17(23)27-12-16(22)19-14-3-2-4-15(9-14)28(24,25)21-5-7-26-8-6-21/h2-4,9-11H,5-8,12H2,1H3,(H,19,22)