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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-thienyl)acetamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-thiophen-2-ylacetamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-thiophen-2-ylacetamide Traditional Name: 2-(2-thienyl)-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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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)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C22H22N2O3S2/c1-16-4-8-21(9-5-16)29(26,27)24-11-10-17-6-7-19(13-18(17)15-24)23-22(25)14-20-3-2-12-28-20/h2-9,12-13H,10-11,14-15H2,1H3,(H,23,25)