[(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [(1S)-2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C17H16BrNO6S MolecularWeight: 442.28104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C17H16BrNO6S/c1-10(25-17(22)14-9-12(18)5-8-15(14)20)16(21)11-3-6-13(7-4-11)19-26(2,23)24/h3-10,19-20H,1-2H3/t10-/m0/s1