2-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4,4-dimethoxy-2,3-dihydrothiochromene 1,1-dioxide

Systemtic Name: 2-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4,4-dimethoxy-2,3-dihydrothiochromene 1,1-dioxide Openeye Name: 2-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4,4-dimethoxy-2,3-dihydrothiochromene 1,1-dioxide CAS Name: 2-ethyl-3-[4-(4-fluorophenyl)-1-piperazinyl]-4,4-dimethoxy-2,3-dihydro-1-benzothiopyran 1,1-dioxide IUPAC Name: 2-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4,4-dimethoxy-2,3-dihydrothiochromene 1,1-dioxide Traditional Name: 2-ethyl-3-[4-(4-fluorophenyl)piperazino]-4,4-dimethoxy-2,3-dihydrothiochromene 1,1-dioxide Formula: C23H29FN2O4S MolecularWeight: 448.550763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C2=CC=CC=C2S1(=O)=O)(OC)OC)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1C(C(C2=CC=CC=C2S1(=O)=O)(OC)OC)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H29FN2O4S/c1-4-20-22(26-15-13-25(14-16-26)18-11-9-17(24)10-12-18)23(29-2,30-3)19-7-5-6-8-21(19)31(20,27)28/h5-12,20,22H,4,13-16H2,1-3H3