4,4-dimethoxy-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydrothiochromene 1,1-dioxide

Systemtic Name: 4,4-dimethoxy-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydrothiochromene 1,1-dioxide Openeye Name: 4,4-dimethoxy-2-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]-2,3-dihydrothiochromene 1,1-dioxide CAS Name: 4,4-dimethoxy-2-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-2,3-dihydro-1-benzothiopyran 1,1-dioxide IUPAC Name: 4,4-dimethoxy-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydrothiochromene 1,1-dioxide Traditional Name: 4,4-dimethoxy-2-[3-[4-(2-pyridyl)piperazino]propyl]-2,3-dihydrothiochromene 1,1-dioxide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC(S(=O)(=O)C2=CC=CC=C21)CCCN3CCN(CC3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1(CC(S(=O)(=O)C2=CC=CC=C21)CCCN3CCN(CC3)C4=CC=CC=N4)OC

InChI

InChI=1S/C23H31N3O4S/c1-29-23(30-2)18-19(31(27,28)21-10-4-3-9-20(21)23)8-7-13-25-14-16-26(17-15-25)22-11-5-6-12-24-22/h3-6,9-12,19H,7-8,13-18H2,1-2H3