(3,3-dimethyl-2-oxidanylidene-butyl) 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO6S/c1-17(2,3)15(19)12-24-16(20)13-5-4-6-14(11-13)25(21,22)18-7-9-23-10-8-18/h4-6,11H,7-10,12H2,1-3H3