(2-morpholin-4-yl-1-benzofuran-5-yl) 4,6,6-trimethylcyclohexa-1,3-diene-1-sulfonate

Systemtic Name: (2-morpholin-4-yl-1-benzofuran-5-yl) 4,6,6-trimethylcyclohexa-1,3-diene-1-sulfonate Openeye Name: (2-morpholinobenzofuran-5-yl) 4,6,6-trimethylcyclohexa-1,3-diene-1-sulfonate CAS Name: 4,6,6-trimethyl-1-cyclohexa-1,3-dienesulfonic acid [2-(4-morpholinyl)-5-benzofuranyl] ester IUPAC Name: (2-morpholin-4-yl-1-benzofuran-5-yl) 4,6,6-trimethylcyclohexa-1,3-diene-1-sulfonate Traditional Name: 4,6,6-trimethylcyclohexa-1,3-diene-1-sulfonic acid (2-morpholinobenzofuran-5-yl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(C1)(C)C)S(=O)(=O)OC2=CC3=C(C=C2)OC(=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C(C1)(C)C)S(=O)(=O)OC2=CC3=C(C=C2)OC(=C3)N4CCOCC4

InChI

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