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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Br

InChI

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