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

Systemtic Name: 2-ethoxy-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 2-ethoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 2-ethoxy-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 2-ethoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: 2-ethoxy-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

Isomeric SMILES

CCOC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C22H22N2O4S2/c1-2-28-19-6-3-4-8-21(19)30(26,27)23-18-10-9-16-11-12-24(15-17(16)14-18)22(25)20-7-5-13-29-20/h3-10,13-14,23H,2,11-12,15H2,1H3