(4-bromophenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (4-bromophenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-bromophenyl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (4-bromobenzyl) ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrNO4S/c1-13-2-8-16(9-3-13)24(21,22)19-11-10-17(20)23-12-14-4-6-15(18)7-5-14/h2-9,19H,10-12H2,1H3