(2-morpholin-4-yl-1-benzofuran-5-yl) 3,3-dimethylbutane-1-sulfonate

Systemtic Name: (2-morpholin-4-yl-1-benzofuran-5-yl) 3,3-dimethylbutane-1-sulfonate Openeye Name: (2-morpholinobenzofuran-5-yl) 3,3-dimethylbutane-1-sulfonate CAS Name: 3,3-dimethyl-1-butanesulfonic acid IUPAC Name: (2-morpholin-4-yl-1-benzofuran-5-yl) 3,3-dimethylbutane-1-sulfonate Traditional Name: 3,3-dimethylbutane-1-sulfonic acid (2-morpholinobenzofuran-5-yl) ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCS(=O)(=O)OC1=CC2=C(C=C1)OC(=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)CCS(=O)(=O)OC1=CC2=C(C=C1)OC(=C2)N3CCOCC3

InChI

InChI=1S/C18H25NO5S/c1-18(2,3)6-11-25(20,21)24-15-4-5-16-14(12-15)13-17(23-16)19-7-9-22-10-8-19/h4-5,12-13H,6-11H2,1-3H3