[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-sulfamoyl-benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H15BrN2O5S MolecularWeight: 379.2269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O5S/c1-3-15-11(16)7(2)20-12(17)9-6-8(21(14,18)19)4-5-10(9)13/h4-7H,3H2,1-2H3,(H,15,16)(H2,14,18,19)/t7-/m0/s1