(3-methyl-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl) 4-methylbenzenesulfonate Openeye Name: [2-methyl-1-(morpholine-4-carbonyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-methyl-1-(4-morpholinyl)-1-oxobutan-2-yl] ester IUPAC Name: (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methyl-1-(morpholine-4-carbonyl)propyl] ester Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)C)C(=O)N2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)C)C(=O)N2CCOCC2

InChI

InChI=1S/C16H23NO5S/c1-12(2)15(16(18)17-8-10-21-11-9-17)22-23(19,20)14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3