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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-morpholin-4-ylsulfonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

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

InChI

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