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

Systemtic Name: 3-[4-[2-[(4-bromophenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(4-bromophenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[(4-bromophenyl)sulfonylamino]ethylthio]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(4-bromophenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(brosylamino)ethylthio]phenyl]propionic acid Formula: C17H18BrNO4S2 MolecularWeight: 444.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)SCCNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)SCCNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrNO4S2/c18-14-4-8-16(9-5-14)25(22,23)19-11-12-24-15-6-1-13(2-7-15)3-10-17(20)21/h1-2,4-9,19H,3,10-12H2,(H,20,21)