[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=COC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C17H17N3O6S/c18-8-2-9-20-27(23,24)15-6-4-13(5-7-15)17(22)26-12-16(21)19-11-14-3-1-10-25-14/h1,3-7,10,20H,2,9,11-12H2,(H,19,21)