2-[(4-bromophenyl)sulfonylamino]-3-(carboxymethylsulfanyl)propanoic acid

Systemtic Name: 2-[(4-bromophenyl)sulfonylamino]-3-(carboxymethylsulfanyl)propanoic acid Openeye Name: 2-[(4-bromophenyl)sulfonylamino]-3-(carboxymethylsulfanyl)propanoic acid CAS Name: 2-[(4-bromophenyl)sulfonylamino]-3-(carboxymethylthio)propanoic acid IUPAC Name: 2-[(4-bromophenyl)sulfonylamino]-3-(carboxymethylsulfanyl)propanoic acid Traditional Name: 2-(brosylamino)-3-(carboxymethylthio)propionic acid Formula: C11H12BrNO6S2 MolecularWeight: 398.25008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NC(CSCC(=O)O)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NC(CSCC(=O)O)C(=O)O)Br

InChI

InChI=1S/C11H12BrNO6S2/c12-7-1-3-8(4-2-7)21(18,19)13-9(11(16)17)5-20-6-10(14)15/h1-4,9,13H,5-6H2,(H,14,15)(H,16,17)