3-[(4-bromophenyl)sulfonyl-(2-carboxyethyl)amino]propanoic acid

Systemtic Name: 3-[(4-bromophenyl)sulfonyl-(2-carboxyethyl)amino]propanoic acid Openeye Name: 3-[(4-bromophenyl)sulfonyl-(2-carboxyethyl)amino]propanoic acid CAS Name: 3-[(4-bromophenyl)sulfonyl-(2-carboxyethyl)amino]propanoic acid IUPAC Name: 3-[(4-bromophenyl)sulfonyl-(2-carboxyethyl)amino]propanoic acid Traditional Name: 3-[brosyl(2-carboxyethyl)amino]propionic acid Formula: C12H14BrNO6S MolecularWeight: 380.21166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)N(CCC(=O)O)CCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)N(CCC(=O)O)CCC(=O)O)Br

InChI

InChI=1S/C12H14BrNO6S/c13-9-1-3-10(4-2-9)21(19,20)14(7-5-11(15)16)8-6-12(17)18/h1-4H,5-8H2,(H,15,16)(H,17,18)