(3,3-dimethyl-2-pyrrolidin-1-yl-2H-1-benzofuran-5-yl) propane-1-sulfonate

Systemtic Name: (3,3-dimethyl-2-pyrrolidin-1-yl-2H-1-benzofuran-5-yl) propane-1-sulfonate Openeye Name: (3,3-dimethyl-2-pyrrolidin-1-yl-2H-benzofuran-5-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (3,3-dimethyl-2-pyrrolidin-1-yl-2H-1-benzofuran-5-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (3,3-dimethyl-2-pyrrolidino-coumaran-5-yl) ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC2=C(C=C1)OC(C2(C)C)N3CCCC3

Isomeric SMILES

CCCS(=O)(=O)OC1=CC2=C(C=C1)OC(C2(C)C)N3CCCC3

InChI

InChI=1S/C17H25NO4S/c1-4-11-23(19,20)22-13-7-8-15-14(12-13)17(2,3)16(21-15)18-9-5-6-10-18/h7-8,12,16H,4-6,9-11H2,1-3H3