[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NC3=NOC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NC3=NOC=C3

InChI

InChI=1S/C23H25N3O6S/c1-23(2,3)18-8-10-19(11-9-18)33(29,30)24-14-16-4-6-17(7-5-16)22(28)31-15-21(27)25-20-12-13-32-26-20/h4-13,24H,14-15H2,1-3H3,(H,25,26,27)