ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]acetate CAS Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetate Traditional Name: 2-[4-[[2-(brosylamino)-4-(methylthio)butanoyl]amino]phenyl]acetic acid ethyl ester Formula: C21H25BrN2O5S2 MolecularWeight: 529.4676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrN2O5S2/c1-3-29-20(25)14-15-4-8-17(9-5-15)23-21(26)19(12-13-30-2)24-31(27,28)18-10-6-16(22)7-11-18/h4-11,19,24H,3,12-14H2,1-2H3,(H,23,26)