[(3S,3aR,6S,6aS)-3-[4-(3-pyridin-4-ylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate

Systemtic Name: [(3S,3aR,6S,6aS)-3-[4-(3-pyridin-4-ylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate Openeye Name: [(3S,3aR,6S,6aS)-3-[4-[3-(4-pyridylsulfanyl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate CAS Name: nitric acid [(3S,3aR,6S,6aS)-3-[4-[3-(pyridin-4-ylthio)propyl]-1-piperazinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester IUPAC Name: [(3S,3aR,6S,6aS)-3-[4-(3-pyridin-4-ylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate Traditional Name: nitric acid [(3S,3aR,6S,6aS)-3-[4-[3-(4-pyridylthio)propyl]piperazino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester Formula: C18H26N4O5S MolecularWeight: 410.48784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=CC=NC=C2)C3COC4C3OCC4O[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCSC2=CC=NC=C2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c23-22(24)27-16-13-26-17-15(12-25-18(16)17)21-9-7-20(8-10-21)6-1-11-28-14-2-4-19-5-3-14/h2-5,15-18H,1,6-13H2/t15-,16-,17+,18+/m0/s1