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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanyl-benzamide Openeye Name: 2-methylsulfanyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(methylthio)benzamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanylbenzamide Traditional Name: 2-(methylthio)-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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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=CC=CC=C4SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4SC

InChI

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