6-oxidanylidene-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyran-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyran-3-carboxamide Openeye Name: 6-oxo-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyran-3-carboxamide CAS Name: 6-oxo-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-pyrancarboxamide IUPAC Name: 6-oxo-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyran-3-carboxamide Traditional Name: 6-keto-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyran-3-carboxamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=COC(=O)C=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=COC(=O)C=C3

InChI

InChI=1S/C18H20N2O5S/c1-2-9-26(23,24)20-8-7-13-3-5-16(10-15(13)11-20)19-18(22)14-4-6-17(21)25-12-14/h3-6,10,12H,2,7-9,11H2,1H3,(H,19,22)