N-(4-bromanyl-2-fluoranyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H18BrFN2O3S MolecularWeight: 441.314523

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H18BrFN2O3S/c1-2-26(24,25)22-11-13-6-4-3-5-12(13)9-17(22)18(23)21-16-8-7-14(19)10-15(16)20/h3-8,10,17H,2,9,11H2,1H3,(H,21,23)