methyl (2R)-2-[[4-bromanyl-3-(dimethylsulfamoyl)phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2R)-2-[[4-bromanyl-3-(dimethylsulfamoyl)phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-2-[[4-bromo-3-(dimethylsulfamoyl)benzoyl]amino]-3-hydroxy-propanoate CAS Name: (2R)-2-[[[4-bromo-3-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-bromo-3-(dimethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoate Traditional Name: (2R)-2-[[4-bromo-3-(dimethylsulfamoyl)benzoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C13H17BrN2O6S MolecularWeight: 409.25288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC(CO)C(=O)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O6S/c1-16(2)23(20,21)11-6-8(4-5-9(11)14)12(18)15-10(7-17)13(19)22-3/h4-6,10,17H,7H2,1-3H3,(H,15,18)/t10-/m1/s1