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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C21H20N2O4S2/c1-27-19-6-3-2-5-18(19)21(24)22-17-9-8-15-10-11-23(14-16(15)13-17)29(25,26)20-7-4-12-28-20/h2-9,12-13H,10-11,14H2,1H3,(H,22,24)