[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-[(2-bromobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: 2-[(2-bromobenzoyl)amino]-4-mesyl-butyric acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H22BrN3O6S MolecularWeight: 488.35278

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C18H22BrN3O6S/c1-22(10-5-9-20)16(23)12-28-18(25)15(8-11-29(2,26)27)21-17(24)13-6-3-4-7-14(13)19/h3-4,6-7,15H,5,8,10-12H2,1-2H3,(H,21,24)