[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 3-(brosylamino)benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C20H17BrN2O6S MolecularWeight: 493.32778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H17BrN2O6S/c21-15-6-8-18(9-7-15)30(26,27)23-16-4-1-3-14(11-16)20(25)29-13-19(24)22-12-17-5-2-10-28-17/h1-11,23H,12-13H2,(H,22,24)