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

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-(methylcarbamoyl)benzenesulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 4-(methylcarbamoyl)benzenesulfonate CAS Name: 4-(methylcarbamoyl)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-(methylcarbamoyl)benzenesulfonate Traditional Name: 4-(methylcarbamoyl)benzenesulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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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)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-11-4-9-16(18-15(21)10-12(2)17(11)18)25-26(23,24)14-7-5-13(6-8-14)19(22)20-3/h4-9,12H,10H2,1-3H3,(H,20,22)/t12-/m0/s1