[(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-morpholin-4-ylsulfonylbenzenesulfonate

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-morpholin-4-ylsulfonylbenzenesulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 4-morpholinosulfonylbenzenesulfonate CAS Name: 4-(4-morpholinylsulfonyl)benzenesulfonic acid [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 4-morpholin-4-ylsulfonylbenzenesulfonate Traditional Name: 4-morpholinosulfonylbenzenesulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C21H23NO7S2 MolecularWeight: 465.53982

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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)N4CCOCC4

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23NO7S2/c1-14-3-8-19(21-18(23)13-15(2)20(14)21)29-31(26,27)17-6-4-16(5-7-17)30(24,25)22-9-11-28-12-10-22/h3-8,15H,9-13H2,1-2H3/t15-/m0/s1