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

Systemtic Name: 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide Openeye Name: 2-(3-methylphenoxy)-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Traditional Name: 2-(3-methylphenoxy)-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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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=CC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S/c1-18-6-10-24(11-7-18)32(29,30)27-13-12-20-8-9-22(15-21(20)16-27)26-25(28)17-31-23-5-3-4-19(2)14-23/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,26,28)