4,4-dimethoxy-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-5,6-dihydrothieno[2,3-b]thiopyran 7,7-dioxide

Systemtic Name: 4,4-dimethoxy-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-5,6-dihydrothieno[2,3-b]thiopyran 7,7-dioxide Openeye Name: 4,4-dimethoxy-6-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]-5,6-dihydrothieno[2,3-b]thiopyran 7,7-dioxide CAS Name: 4,4-dimethoxy-6-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-5,6-dihydrothieno[2,3-b]thiopyran 7,7-dioxide IUPAC Name: 4,4-dimethoxy-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-5,6-dihydrothieno[2,3-b]thiopyran 7,7-dioxide Traditional Name: 4,4-dimethoxy-6-[3-[4-(2-pyridyl)piperazino]propyl]-5,6-dihydrothieno[2,3-b]thiopyran 7,7-dioxide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC(S(=O)(=O)C2=C1C=CS2)CCCN3CCN(CC3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1(CC(S(=O)(=O)C2=C1C=CS2)CCCN3CCN(CC3)C4=CC=CC=N4)OC

InChI

InChI=1S/C21H29N3O4S2/c1-27-21(28-2)16-17(30(25,26)20-18(21)8-15-29-20)6-5-10-23-11-13-24(14-12-23)19-7-3-4-9-22-19/h3-4,7-9,15,17H,5-6,10-14,16H2,1-2H3