3,5-dimethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 3,5-dimethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 3,5-dimethoxy-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3,5-dimethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 3,5-dimethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 3,5-dimethoxy-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2)OC

InChI

InChI=1S/C22H22N2O5S2/c1-28-19-11-16(12-20(13-19)29-2)22(25)23-18-6-5-15-7-8-24(14-17(15)10-18)31(26,27)21-4-3-9-30-21/h3-6,9-13H,7-8,14H2,1-2H3,(H,23,25)