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

Systemtic Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoyl]amino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoyl]amino]phenyl]acetate CAS Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-(ethylthio)-1-oxobutyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanylbutanoyl]amino]phenyl]acetate Traditional Name: 2-[4-[[2-(brosylamino)-4-(ethylthio)butanoyl]amino]phenyl]acetic acid ethyl ester Formula: C22H27BrN2O5S2 MolecularWeight: 543.49418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O5S2/c1-3-30-21(26)15-16-5-9-18(10-6-16)24-22(27)20(13-14-31-4-2)25-32(28,29)19-11-7-17(23)8-12-19/h5-12,20,25H,3-4,13-15H2,1-2H3,(H,24,27)