2-methylsulfanyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(methylthio)nicotinamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C22H21N3O3S2/c1-29-22-20(8-5-12-23-22)21(26)24-18-10-9-16-11-13-25(15-17(16)14-18)30(27,28)19-6-3-2-4-7-19/h2-10,12,14H,11,13,15H2,1H3,(H,24,26)