2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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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)C)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)C)Cl)C

InChI

InChI=1S/C26H27ClN2O4S/c1-17-4-8-24(9-5-17)34(31,32)29-11-10-20-6-7-22(14-21(20)15-29)28-25(30)16-33-23-12-18(2)26(27)19(3)13-23/h4-9,12-14H,10-11,15-16H2,1-3H3,(H,28,30)