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

Systemtic Name: N-[(2S)-2-phenylmethoxycyclopentyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(2S)-2-benzyloxycyclopentyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(2S)-2-phenylmethoxycyclopentyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(2S)-2-phenylmethoxycyclopentyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(2S)-2-benzoxycyclopentyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C29H29F3N2O4S MolecularWeight: 558.61177

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)OCC2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C(C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)OCC5=CC=CC=C5

InChI

InChI=1S/C29H29F3N2O4S/c30-29(31,32)23-13-15-24(16-14-23)39(36,37)34-18-22-10-5-4-9-21(22)17-26(34)28(35)33-25-11-6-12-27(25)38-19-20-7-2-1-3-8-20/h1-5,7-10,13-16,25-27H,6,11-12,17-19H2,(H,33,35)/t25?,26?,27-/m0/s1