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

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-ethoxy-3-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxy-3-fluoro-benzenesulfonamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxy-3-fluorobenzenesulfonamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxy-3-fluoro-benzenesulfonamide Formula: C21H23FN2O4S MolecularWeight: 418.481723

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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)C4CC4)C=C2)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)F

InChI

InChI=1S/C21H23FN2O4S/c1-2-28-20-8-7-18(12-19(20)22)29(26,27)23-17-6-5-14-9-10-24(13-16(14)11-17)21(25)15-3-4-15/h5-8,11-12,15,23H,2-4,9-10,13H2,1H3