[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-bromanyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-bromanyl-5-(methylsulfamoyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-bromo-5-(methylsulfamoyl)benzoate CAS Name: 2-bromo-5-(methylsulfamoyl)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-bromo-5-(methylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(methylsulfamoyl)benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C14H19BrN2O5S MolecularWeight: 407.28006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O5S/c1-4-7-17-13(18)9(2)22-14(19)11-8-10(5-6-12(11)15)23(20,21)16-3/h5-6,8-9,16H,4,7H2,1-3H3,(H,17,18)/t9-/m0/s1