[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-methyl-2-morpholino-propanoyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]phenyl] ester IUPAC Name: [4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-methyl-2-morpholino-propanoyl)phenyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C(C)(C)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C(C)(C)N3CCOCC3

InChI

InChI=1S/C21H25NO5S/c1-16-4-10-19(11-5-16)28(24,25)27-18-8-6-17(7-9-18)20(23)21(2,3)22-12-14-26-15-13-22/h4-11H,12-15H2,1-3H3