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

Systemtic Name: ethyl 3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: ethyl 3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 3-[[2-[(4-bromophenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 3-[[2-(brosylamino)-4-(methylthio)butanoyl]amino]benzoic acid ethyl ester Formula: C20H23BrN2O5S2 MolecularWeight: 515.44102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O5S2/c1-3-28-20(25)14-5-4-6-16(13-14)22-19(24)18(11-12-29-2)23-30(26,27)17-9-7-15(21)8-10-17/h4-10,13,18,23H,3,11-12H2,1-2H3,(H,22,24)