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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(C)(C)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(C)(C)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H25NO6S/c1-13-5-6-14(17(21)25-12-16(20)18(2,3)4)11-15(13)26(22,23)19-7-9-24-10-8-19/h5-6,11H,7-10,12H2,1-4H3