2-[2-(4-bromophenyl)ethanoylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)ethanoylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[2-(4-bromophenyl)acetyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[2-(4-bromophenyl)acetyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[2-(4-bromophenyl)acetyl]amino]-4-mesyl-butyric acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)CC1=CC=C(C=C1)Br

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)CC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H16BrNO5S/c1-21(19,20)7-6-11(13(17)18)15-12(16)8-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3,(H,15,16)(H,17,18)