ethyl 3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(2,6-dimethyl-4-morpholinyl)sulfonyl]ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(2,6-dimethylmorpholino)sulfonylethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H25N3O8S MolecularWeight: 443.4714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCS(=O)(=O)N2CC(OC(C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCS(=O)(=O)N2CC(OC(C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O8S/c1-4-28-18(23)15-7-14(8-16(9-15)21(24)25)17(22)19-5-6-30(26,27)20-10-12(2)29-13(3)11-20/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,19,22)