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

Systemtic Name: 3,4-bis(fluoranyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 3,4-difluoro-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3,4-difluoro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3,4-difluoro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 3,4-difluoro-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C23H20F2N2O3S MolecularWeight: 442.478306

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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(=C(C=C4)F)F

Isomeric SMILES

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

InChI

InChI=1S/C23H20F2N2O3S/c1-15-2-7-20(8-3-15)31(29,30)27-11-10-16-4-6-19(12-18(16)14-27)26-23(28)17-5-9-21(24)22(25)13-17/h2-9,12-13H,10-11,14H2,1H3,(H,26,28)