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

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C15H18BrN3O7S MolecularWeight: 464.28832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN3O7S/c1-9(13(20)18-15(17)22)26-14(21)10-2-3-11(16)12(8-10)27(23,24)19-4-6-25-7-5-19/h2-3,8-9H,4-7H2,1H3,(H3,17,18,20,22)/t9-/m0/s1