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

Systemtic Name: 3-methoxy-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 3-methoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 3-methoxy-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 3-methoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: 3-methoxy-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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