[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 3-(2,6-dimethylmorpholino)sulfonylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H23N3O6S/c1-13-10-21(11-14(2)27-13)28(24,25)16-6-3-5-15(9-16)18(23)26-12-17(22)20-8-4-7-19/h3,5-6,9,13-14H,4,8,10-12H2,1-2H3,(H,20,22)