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

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-(2,4-dichlorophenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Formula: C21H18Cl2N2O4S2 MolecularWeight: 497.41462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O4S2/c22-16-4-6-19(18(23)11-16)29-13-20(26)24-17-5-3-14-7-8-25(12-15(14)10-17)31(27,28)21-2-1-9-30-21/h1-6,9-11H,7-8,12-13H2,(H,24,26)