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

Systemtic Name: 2-(2-fluoranylphenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(2-fluorophenoxy)-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-(2-fluorophenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(2-fluorophenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(2-fluorophenoxy)-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Formula: C21H19FN2O4S2 MolecularWeight: 446.514963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)COC3=CC=CC=C3F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)COC3=CC=CC=C3F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H19FN2O4S2/c22-18-4-1-2-5-19(18)28-14-20(25)23-17-8-7-15-9-10-24(13-16(15)12-17)30(26,27)21-6-3-11-29-21/h1-8,11-12H,9-10,13-14H2,(H,23,25)