(2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-4-(methylthio)butyric acid Formula: C12H15ClN2O5S2 MolecularWeight: 366.8409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

InChI

InChI=1S/C12H15ClN2O5S2/c1-21-5-4-9(12(17)18)15-11(16)7-2-3-8(13)10(6-7)22(14,19)20/h2-3,6,9H,4-5H2,1H3,(H,15,16)(H,17,18)(H2,14,19,20)/t9-/m0/s1