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

Systemtic Name: 2-phenoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-phenoxy-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-phenoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-phenoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-phenoxy-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)COC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)COC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H20N2O4S2/c24-20(15-27-19-5-2-1-3-6-19)22-18-9-8-16-10-11-23(14-17(16)13-18)29(25,26)21-7-4-12-28-21/h1-9,12-13H,10-11,14-15H2,(H,22,24)