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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3,5-trimethylphenoxy)ethanamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3,5-trimethylphenoxy)acetamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3,5-trimethylphenoxy)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3,5-trimethylphenoxy)acetamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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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(=C4C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)COC4=CC(=CC(=C4C)C)C

InChI

InChI=1S/C27H30N2O4S/c1-18-5-9-25(10-6-18)34(31,32)29-12-11-22-7-8-24(15-23(22)16-29)28-27(30)17-33-26-14-19(2)13-20(3)21(26)4/h5-10,13-15H,11-12,16-17H2,1-4H3,(H,28,30)