[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C19H22N2O8S MolecularWeight: 438.45158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H22N2O8S/c1-26-16-5-4-14(11-17(16)30(24,25)21-6-9-27-10-7-21)19(23)29-13-18(22)20-12-15-3-2-8-28-15/h2-5,8,11H,6-7,9-10,12-13H2,1H3,(H,20,22)