N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H17ClF2N2O3S MolecularWeight: 462.896786

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H17ClF2N2O3S/c23-19-12-17(7-10-20(19)25)26-22(28)21-11-14-3-1-2-4-15(14)13-27(21)31(29,30)18-8-5-16(24)6-9-18/h1-10,12,21H,11,13H2,(H,26,28)