[(1R)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-(diethylsulfamoyl)benzenesulfonate

Systemtic Name: [(1R)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-(diethylsulfamoyl)benzenesulfonate Openeye Name: [(1R)-1,7-dimethyl-3-oxo-indan-4-yl] 4-(diethylsulfamoyl)benzenesulfonate CAS Name: 4-(diethylsulfamoyl)benzenesulfonic acid [(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 4-(diethylsulfamoyl)benzenesulfonate Traditional Name: 4-(diethylsulfamoyl)benzenesulfonic acid [(1R)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=O)CC(C3=C(C=C2)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=O)C[C@H](C3=C(C=C2)C)C

InChI

InChI=1S/C21H25NO6S2/c1-5-22(6-2)29(24,25)16-8-10-17(11-9-16)30(26,27)28-19-12-7-14(3)20-15(4)13-18(23)21(19)20/h7-12,15H,5-6,13H2,1-4H3/t15-/m1/s1