2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-(brosylamino)-4-(methylthio)butanoyl]amino]phenyl]acetic acid Formula: C19H21BrN2O5S2 MolecularWeight: 501.41444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSCCC(C(=O)NC1=CC=C(C=C1)CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H21BrN2O5S2/c1-28-11-10-17(22-29(26,27)16-8-4-14(20)5-9-16)19(25)21-15-6-2-13(3-7-15)12-18(23)24/h2-9,17,22H,10-12H2,1H3,(H,21,25)(H,23,24)