[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H22BrNO5S/c1-13(2)19(22-28(25,26)17-10-4-14(3)5-11-17)20(24)27-12-18(23)15-6-8-16(21)9-7-15/h4-11,13,19,22H,12H2,1-3H3