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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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