(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-(acetamidomethyl)benzenesulfonate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-(acetamidomethyl)benzenesulfonate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 4-(acetamidomethyl)benzenesulfonate CAS Name: 4-(acetamidomethyl)benzenesulfonic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 4-(acetamidomethyl)benzenesulfonate Traditional Name: 4-(acetamidomethyl)benzenesulfonic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C20H21NO5S MolecularWeight: 387.44944

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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)CNC(=O)C

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=C(C=C3)CNC(=O)C

InChI

InChI=1S/C20H21NO5S/c1-12-4-9-18(20-17(23)10-13(2)19(12)20)26-27(24,25)16-7-5-15(6-8-16)11-21-14(3)22/h4-9,13H,10-11H2,1-3H3,(H,21,22)