(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-sulfonic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C20H19NO5S/c1-11-3-7-17(20-16(22)9-12(2)19(11)20)26-27(24,25)14-5-6-15-13(10-14)4-8-18(23)21-15/h3,5-7,10,12H,4,8-9H2,1-2H3,(H,21,23)