(3,3-dimethyl-2-oxidanylidene-butyl) 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO7S/c1-18(2,3)16(20)12-26-17(21)14-11-13(5-6-15(14)24-4)27(22,23)19-7-9-25-10-8-19/h5-6,11H,7-10,12H2,1-4H3