[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H26N2O6S/c1-4-18(2,3)19-16(21)13-26-17(22)14-6-5-7-15(12-14)27(23,24)20-8-10-25-11-9-20/h5-7,12H,4,8-11,13H2,1-3H3,(H,19,21)