[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoate CAS Name: 2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C22H21BrN2O7S MolecularWeight: 537.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H21BrN2O7S/c1-2-30-19-10-9-15(23)12-20(19)33(28,29)25-18-8-4-3-7-17(18)22(27)32-14-21(26)24-13-16-6-5-11-31-16/h3-12,25H,2,13-14H2,1H3,(H,24,26)