methyl 2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate

Systemtic Name: methyl 2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate Openeye Name: methyl 2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate CAS Name: 2-[[3-[(4-bromophenyl)sulfonylamino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]benzoate Traditional Name: 2-[3-(brosylamino)propanoylamino]benzoic acid methyl ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H17BrN2O5S/c1-25-17(22)14-4-2-3-5-15(14)20-16(21)10-11-19-26(23,24)13-8-6-12(18)7-9-13/h2-9,19H,10-11H2,1H3,(H,20,21)