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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O5S/c1-2-26-18(23)13-4-3-5-15(12-13)21-17(22)10-11-20-27(24,25)16-8-6-14(19)7-9-16/h3-9,12,20H,2,10-11H2,1H3,(H,21,22)