methyl 4-[[3-[(4-bromophenyl)sulfonylamino]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-[(4-bromophenyl)sulfonylamino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[(4-bromophenyl)sulfonylamino]propanoylamino]methyl]benzoate CAS Name: 4-[[[3-[(4-bromophenyl)sulfonylamino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-bromophenyl)sulfonylamino]propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(brosylamino)propanoylamino]methyl]benzoic acid methyl ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O5S/c1-26-18(23)14-4-2-13(3-5-14)12-20-17(22)10-11-21-27(24,25)16-8-6-15(19)7-9-16/h2-9,21H,10-12H2,1H3,(H,20,22)