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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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