N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-N-methyl-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-N-methyl-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N-methyl-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-N-methyl-4-(methylthio)benzenesulfonamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N-methyl-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N-methyl-4-(methylthio)benzenesulfonamide Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H24N2O3S2/c1-25(31(28,29)23-13-11-22(30-2)12-14-23)21-9-7-19(8-10-21)24(27)26-16-15-18-5-3-4-6-20(18)17-26/h3-14H,15-17H2,1-2H3