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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-N-(4-phenoxyphenyl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide Formula: C28H23FN2O4S MolecularWeight: 502.556623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)F

InChI

InChI=1S/C28H23FN2O4S/c29-26-15-10-21(18-27(26)36(33,34)31-17-16-20-6-4-5-7-22(20)19-31)28(32)30-23-11-13-25(14-12-23)35-24-8-2-1-3-9-24/h1-15,18H,16-17,19H2,(H,30,32)