(2R)-2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[2-chloro-5-(dimethylsulfamoyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[2-chloro-5-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[2-chloro-5-(dimethylsulfamoyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-chloro-5-(dimethylsulfamoyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C14H18ClN2O5S2- MolecularWeight: 393.88612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C14H19ClN2O5S2/c1-17(2)24(21,22)9-4-5-11(15)10(8-9)13(18)16-12(14(19)20)6-7-23-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H,19,20)/p-1/t12-/m1/s1