[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C18H17BrN2O6S MolecularWeight: 469.30638

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H17BrN2O6S/c1-28(25,26)15-8-6-14(7-9-15)21-16(22)11-27-17(23)10-20-18(24)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3,(H,20,24)(H,21,22)