[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C22H21NO7S MolecularWeight: 443.46964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H21NO7S/c1-15-6-7-17(31(26,27)23-8-10-28-11-9-23)13-18(15)22(25)29-14-19(24)21-12-16-4-2-3-5-20(16)30-21/h2-7,12-13H,8-11,14H2,1H3