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

Systemtic Name: 4-ethoxy-3-fluoranyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 4-ethoxy-3-fluoro-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 4-ethoxy-3-fluoro-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 4-ethoxy-3-fluoro-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: 4-ethoxy-3-fluoro-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Formula: C22H21FN2O4S2 MolecularWeight: 460.541543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2)F

InChI

InChI=1S/C22H21FN2O4S2/c1-2-29-20-8-7-18(13-19(20)23)31(27,28)24-17-6-5-15-9-10-25(14-16(15)12-17)22(26)21-4-3-11-30-21/h3-8,11-13,24H,2,9-10,14H2,1H3