2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(3-chloro-4-hydroxy-benzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(3-chloro-4-hydroxyphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3-chloro-4-hydroxybenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(3-chloro-4-hydroxy-benzoyl)amino]-4-mesyl-butyric acid Formula: C12H14ClNO6S MolecularWeight: 335.76066

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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)CCC(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)