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

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(2-oxo-1-pyrrolidinyl)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-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)benzenesulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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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)N4CCCC4=O

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C21H21NO5S/c1-13-5-10-18(21-17(23)12-14(2)20(13)21)27-28(25,26)16-8-6-15(7-9-16)22-11-3-4-19(22)24/h5-10,14H,3-4,11-12H2,1-2H3/t14-/m0/s1