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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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