N-(4-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-morpholinophenyl)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-morpholinophenyl)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H26F3N3O4S MolecularWeight: 545.57325

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C27H26F3N3O4S/c28-27(29,30)23-7-3-4-8-25(23)38(35,36)33-18-20-6-2-1-5-19(20)17-24(33)26(34)31-21-9-11-22(12-10-21)32-13-15-37-16-14-32/h1-12,24H,13-18H2,(H,31,34)