[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-4-(methylthio)butanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(brosylamino)-4-(methylthio)butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C16H21BrN2O5S2 MolecularWeight: 465.38234

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1CC1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1CC1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN2O5S2/c1-25-9-8-14(16(21)24-10-15(20)18-12-4-5-12)19-26(22,23)13-6-2-11(17)3-7-13/h2-3,6-7,12,14,19H,4-5,8-10H2,1H3,(H,18,20)