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

Systemtic Name: (3,3-dimethyl-2-pyrrolidin-1-yl-2H-1-benzofuran-5-yl) ethanesulfonate Openeye Name: (3,3-dimethyl-2-pyrrolidin-1-yl-2H-benzofuran-5-yl) ethanesulfonate CAS Name: ethanesulfonic acid [3,3-dimethyl-2-(1-pyrrolidinyl)-2H-benzofuran-5-yl] ester IUPAC Name: (3,3-dimethyl-2-pyrrolidin-1-yl-2H-1-benzofuran-5-yl) ethanesulfonate Traditional Name: ethanesulfonic acid (3,3-dimethyl-2-pyrrolidino-coumaran-5-yl) ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4S/c1-4-22(18,19)21-12-7-8-14-13(11-12)16(2,3)15(20-14)17-9-5-6-10-17/h7-8,11,15H,4-6,9-10H2,1-3H3