(2S)-2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(3-chloro-4-hydroxy-benzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(3-chloro-4-hydroxyphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(3-chloro-4-hydroxy-benzoyl)amino]-4-mesyl-butyrate Formula: C12H13ClNO6S- MolecularWeight: 334.75272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CC(=C(C=C1)O)Cl

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CC(=C(C=C1)O)Cl

InChI

InChI=1S/C12H14ClNO6S/c1-21(19,20)5-4-9(12(17)18)14-11(16)7-2-3-10(15)8(13)6-7/h2-3,6,9,15H,4-5H2,1H3,(H,14,16)(H,17,18)/p-1/t9-/m0/s1