(2,2-dimethyl-3H-1-benzofuran-7-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzenesulfonic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-pyrrolidinosulfonylbenzenesulfonic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C20H23NO6S2 MolecularWeight: 437.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C20H23NO6S2/c1-20(2)14-15-6-5-7-18(19(15)26-20)27-29(24,25)17-10-8-16(9-11-17)28(22,23)21-12-3-4-13-21/h5-11H,3-4,12-14H2,1-2H3