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

Systemtic Name: 2-(3-methylphenyl)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(m-tolyl)-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-(3-methylphenyl)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(3-methylphenyl)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(m-tolyl)-N-[2-(2-thienylsulfonyl)-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(=CC=C1)CC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2

InChI

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