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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C18H18BrNO5S MolecularWeight: 440.30822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO5S/c1-13-2-8-16(9-3-13)26(23,24)20-11-10-18(22)25-12-17(21)14-4-6-15(19)7-5-14/h2-9,20H,10-12H2,1H3