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

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22BrN3O7S MolecularWeight: 492.34148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O7S/c1-3-19-17(24)20-15(22)11(2)28-16(23)12-4-5-13(18)14(10-12)29(25,26)21-6-8-27-9-7-21/h4-5,10-11H,3,6-9H2,1-2H3,(H2,19,20,22,24)/t11-/m0/s1