3-(2-bromophenyl)-2-[2-(4-methylphenyl)sulfonyloxypropanoylamino]propanoate

Systemtic Name: 3-(2-bromophenyl)-2-[2-(4-methylphenyl)sulfonyloxypropanoylamino]propanoate Openeye Name: 3-(2-bromophenyl)-2-[2-(p-tolylsulfonyloxy)propanoylamino]propanoate CAS Name: 3-(2-bromophenyl)-2-[[2-(4-methylphenyl)sulfonyloxy-1-oxopropyl]amino]propanoate IUPAC Name: 3-(2-bromophenyl)-2-[2-(4-methylphenyl)sulfonyloxypropanoylamino]propanoate Traditional Name: 3-(2-bromophenyl)-2-(2-tosyloxypropanoylamino)propionate Formula: C19H19BrNO6S- MolecularWeight: 469.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-]

InChI

InChI=1S/C19H20BrNO6S/c1-12-7-9-15(10-8-12)28(25,26)27-13(2)18(22)21-17(19(23)24)11-14-5-3-4-6-16(14)20/h3-10,13,17H,11H2,1-2H3,(H,21,22)(H,23,24)/p-1