2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-[4-(2-fluorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-[4-(2-fluorophenyl)piperazino]ethanone Formula: C23H29FN4O3S2 MolecularWeight: 492.629763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H29FN4O3S2/c24-20-7-3-4-8-21(20)26-13-15-27(16-14-26)23(29)18-32-22-10-9-19(17-25-22)33(30,31)28-11-5-1-2-6-12-28/h3-4,7-10,17H,1-2,5-6,11-16,18H2