ethyl 2-[3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]ethanoate

Systemtic Name: ethyl 2-[3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]ethanoate Openeye Name: ethyl 2-[3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]acetate CAS Name: 2-[3-[[2-[(4-bromophenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetate Traditional Name: 2-[3-[[2-(brosylamino)-4-(methylthio)butanoyl]amino]phenyl]acetic acid ethyl ester Formula: C21H25BrN2O5S2 MolecularWeight: 529.4676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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