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

Systemtic Name: 2-(3-chloranylphenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(3-chlorophenoxy)-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-(3-chlorophenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(3-chlorophenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(3-chlorophenoxy)-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Formula: C21H19ClN2O4S2 MolecularWeight: 462.96956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S2/c22-17-3-1-4-19(12-17)28-14-20(25)23-18-7-6-15-8-9-24(13-16(15)11-18)30(26,27)21-5-2-10-29-21/h1-7,10-12H,8-9,13-14H2,(H,23,25)