2-[(3-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(3-bromobenzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3-bromobenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(3-bromobenzoyl)amino]-4-mesyl-butyric acid Formula: C12H14BrNO5S MolecularWeight: 364.21226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO5S/c1-20(18,19)6-5-10(12(16)17)14-11(15)8-3-2-4-9(13)7-8/h2-4,7,10H,5-6H2,1H3,(H,14,15)(H,16,17)