2-[4-[2-[(4-bromophenyl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-bromophenyl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-bromophenyl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-[(4-bromophenyl)sulfonyl-propylamino]ethylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-[(4-bromophenyl)sulfonyl-propylamino]ethylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[2-[brosyl(propyl)amino]ethylthio]-2-methyl-phenoxy]acetic acid Formula: C20H24BrNO5S2 MolecularWeight: 502.44226

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H24BrNO5S2/c1-3-10-22(29(25,26)18-7-4-16(21)5-8-18)11-12-28-17-6-9-19(15(2)13-17)27-14-20(23)24/h4-9,13H,3,10-12,14H2,1-2H3,(H,23,24)