[1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate Openeye Name: [1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CN(N=C3)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CN(N=C3)C

InChI

InChI=1S/C18H22N4O6S/c1-13(28-18(24)14-11-19-21(2)12-14)17(23)20-15-3-5-16(6-4-15)29(25,26)22-7-9-27-10-8-22/h3-6,11-13H,7-10H2,1-2H3,(H,20,23)