2-[bis(4-fluorophenyl)methylsulfanyl]-4-(6,7-dimethoxy-1-methyl-3,4-dihydroisochromen-1-yl)-1-ethyl-piperidine

Systemtic Name: 2-[bis(4-fluorophenyl)methylsulfanyl]-4-(6,7-dimethoxy-1-methyl-3,4-dihydroisochromen-1-yl)-1-ethyl-piperidine Openeye Name: 2-[bis(4-fluorophenyl)methylsulfanyl]-4-(6,7-dimethoxy-1-methyl-isochroman-1-yl)-1-ethyl-piperidine CAS Name: 2-[bis(4-fluorophenyl)methylthio]-4-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-2-benzopyran-1-yl)-1-ethylpiperidine IUPAC Name: 2-[bis(4-fluorophenyl)methylsulfanyl]-4-(6,7-dimethoxy-1-methyl-3,4-dihydroisochromen-1-yl)-1-ethylpiperidine Traditional Name: 2-[bis(4-fluorophenyl)methylthio]-4-(6,7-dimethoxy-1-methyl-isochroman-1-yl)-1-ethyl-piperidine Formula: C32H37F2NO3S MolecularWeight: 553.702886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1SC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4(C5=CC(=C(C=C5CCO4)OC)OC)C

Isomeric SMILES

CCN1CCC(CC1SC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4(C5=CC(=C(C=C5CCO4)OC)OC)C

InChI

InChI=1S/C32H37F2NO3S/c1-5-35-16-14-24(32(2)27-20-29(37-4)28(36-3)18-23(27)15-17-38-32)19-30(35)39-31(21-6-10-25(33)11-7-21)22-8-12-26(34)13-9-22/h6-13,18,20,24,30-31H,5,14-17,19H2,1-4H3