2-(4-chloranyl-3-methyl-phenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C25H25ClN2O4S MolecularWeight: 484.995

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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)COC4=CC(=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)COC4=CC(=C(C=C4)Cl)C

InChI

InChI=1S/C25H25ClN2O4S/c1-17-3-8-23(9-4-17)33(30,31)28-12-11-19-5-6-21(14-20(19)15-28)27-25(29)16-32-22-7-10-24(26)18(2)13-22/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,27,29)