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

Systemtic Name: 2-[(4-bromophenyl)sulfonylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[(4-bromophenyl)sulfonylamino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[(4-bromophenyl)sulfonylamino]-3-(methylthio)propanoic acid IUPAC Name: 2-[(4-bromophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid Traditional Name: 2-(brosylamino)-3-(methylthio)propionic acid Formula: C10H12BrNO4S2 MolecularWeight: 354.24058

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CSCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C10H12BrNO4S2/c1-17-6-9(10(13)14)12-18(15,16)8-4-2-7(11)3-5-8/h2-5,9,12H,6H2,1H3,(H,13,14)