[3-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] benzenesulfonate

Systemtic Name: [3-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] benzenesulfonate Openeye Name: [3-(2-methyl-2-morpholino-propanoyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]phenyl] ester IUPAC Name: [3-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(2-methyl-2-morpholino-propanoyl)phenyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C20H23NO5S/c1-20(2,21-11-13-25-14-12-21)19(22)16-7-6-8-17(15-16)26-27(23,24)18-9-4-3-5-10-18/h3-10,15H,11-14H2,1-2H3