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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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