(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzenesulfonic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-pyrrolidinosulfonylbenzenesulfonic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C21H23NO6S2 MolecularWeight: 449.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23NO6S2/c1-14-5-10-19(21-18(23)13-15(2)20(14)21)28-30(26,27)17-8-6-16(7-9-17)29(24,25)22-11-3-4-12-22/h5-10,15H,3-4,11-13H2,1-2H3