[1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H24N4O6S/c1-17(33-23(29)18-6-8-20(9-7-18)27-11-3-10-24-27)22(28)25-19-4-2-5-21(16-19)34(30,31)26-12-14-32-15-13-26/h2-11,16-17H,12-15H2,1H3,(H,25,28)