3-fluoranyl-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 3-fluoranyl-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 3-fluoro-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3-fluoro-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3-fluoro-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 3-fluoro-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H21FN2O4S/c1-30-21-7-9-22(10-8-21)31(28,29)26-12-11-16-5-6-20(14-18(16)15-26)25-23(27)17-3-2-4-19(24)13-17/h2-10,13-14H,11-12,15H2,1H3,(H,25,27)