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

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3-acetamido-4-methoxy-benzenesulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 3-acetamido-4-methoxy-benzenesulfonate CAS Name: 3-acetamido-4-methoxybenzenesulfonic 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] 3-acetamido-4-methoxybenzenesulfonate Traditional Name: 3-acetamido-4-methoxy-benzenesulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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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)OC)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-11-5-7-18(20-16(23)9-12(2)19(11)20)27-28(24,25)14-6-8-17(26-4)15(10-14)21-13(3)22/h5-8,10,12H,9H2,1-4H3,(H,21,22)/t12-/m0/s1