N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-6-oxidanylidene-pyran-3-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-6-oxidanylidene-pyran-3-carboxamide Openeye Name: 6-oxo-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyran-3-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-6-oxo-3-pyrancarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-6-oxopyran-3-carboxamide Traditional Name: 6-keto-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)pyran-3-carboxamide Formula: C22H20N2O5S MolecularWeight: 424.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=COC(=O)C=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=COC(=O)C=C4

InChI

InChI=1S/C22H20N2O5S/c1-15-2-7-20(8-3-15)30(27,28)24-11-10-16-4-6-19(12-18(16)13-24)23-22(26)17-5-9-21(25)29-14-17/h2-9,12,14H,10-11,13H2,1H3,(H,23,26)