[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C16H20BrN3O7S MolecularWeight: 478.3149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H20BrN3O7S/c1-10(14(21)19-16(23)18-2)27-15(22)11-3-4-12(17)13(9-11)28(24,25)20-5-7-26-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,21,23)/t10-/m0/s1