[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C16H16BrN3O7S MolecularWeight: 474.28314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NOC=C3)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NOC=C3)Br

InChI

InChI=1S/C16H16BrN3O7S/c17-12-2-1-11(9-13(12)28(23,24)20-4-7-25-8-5-20)16(22)26-10-15(21)18-14-3-6-27-19-14/h1-3,6,9H,4-5,7-8,10H2,(H,18,19,21)