(3,3-dimethyl-2-oxidanylidene-butyl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H22BrNO6S MolecularWeight: 448.32868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H22BrNO6S/c1-17(2,3)15(20)11-25-16(21)12-4-5-13(18)14(10-12)26(22,23)19-6-8-24-9-7-19/h4-5,10H,6-9,11H2,1-3H3