5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoranyl-N-(3-methoxyphenyl)benzamide

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoranyl-N-(3-methoxyphenyl)benzamide Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoro-N-(3-methoxyphenyl)benzamide CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoro-N-(3-methoxyphenyl)benzamide IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoro-N-(3-methoxyphenyl)benzamide Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoro-N-(3-methoxyphenyl)benzamide Formula: C23H21FN2O4S MolecularWeight: 440.487243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)F

InChI

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