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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)nicotinamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S2/c1-16-5-9-20(10-6-16)31(28,29)26-13-11-17-7-8-19(14-18(17)15-26)25-22(27)21-4-3-12-24-23(21)30-2/h3-10,12,14H,11,13,15H2,1-2H3,(H,25,27)