[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25BrN2O6S MolecularWeight: 477.3699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H25BrN2O6S/c1-12(16(22)20-18(2,3)4)27-17(23)13-5-6-14(19)15(11-13)28(24,25)21-7-9-26-10-8-21/h5-6,11-12H,7-10H2,1-4H3,(H,20,22)