1-[(5-fluoranyl-1-benzofuran-2-yl)methyl]-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine

Systemtic Name: 1-[(5-fluoranyl-1-benzofuran-2-yl)methyl]-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine Openeye Name: 1-[(5-fluorobenzofuran-2-yl)methyl]-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine CAS Name: 1-[(5-fluoro-2-benzofuranyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methylthio]piperidine IUPAC Name: 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine Traditional Name: 1-[(5-fluorobenzofuran-2-yl)methyl]-4-[(2,3,4-trimethoxybenzyl)thio]piperidine Formula: C24H28FNO4S MolecularWeight: 445.546823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CSC2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CSC2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)F)OC)OC

InChI

InChI=1S/C24H28FNO4S/c1-27-22-6-4-16(23(28-2)24(22)29-3)15-31-20-8-10-26(11-9-20)14-19-13-17-12-18(25)5-7-21(17)30-19/h4-7,12-13,20H,8-11,14-15H2,1-3H3