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

Systemtic Name: 4-ethoxy-3-fluoranyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Openeye Name: 4-ethoxy-3-fluoro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 4-ethoxy-3-fluoro-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 4-ethoxy-3-fluoro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: 4-ethoxy-3-fluoro-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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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)C(C)C)C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O4S/c1-4-28-20-8-7-18(12-19(20)22)29(26,27)23-17-6-5-15-9-10-24(13-16(15)11-17)21(25)14(2)3/h5-8,11-12,14,23H,4,9-10,13H2,1-3H3