2-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(5-bromo-2-chloro-benzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(5-bromo-2-chlorobenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(5-bromo-2-chloro-benzoyl)amino]-4-mesyl-butyric acid Formula: C12H13BrClNO5S MolecularWeight: 398.65732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)Br)Cl

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)Br)Cl

InChI

InChI=1S/C12H13BrClNO5S/c1-21(19,20)5-4-10(12(17)18)15-11(16)8-6-7(13)2-3-9(8)14/h2-3,6,10H,4-5H2,1H3,(H,15,16)(H,17,18)