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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H23F3N4O3S MolecularWeight: 492.51393

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C23H23F3N4O3S/c24-23(25,26)19-6-8-20(9-7-19)34(32,33)30-15-18-5-2-1-4-17(18)14-21(30)22(31)28-10-3-12-29-13-11-27-16-29/h1-2,4-9,11,13,16,21H,3,10,12,14-15H2,(H,28,31)