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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C22H29N5O3S2 MolecularWeight: 475.62736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H29N5O3S2/c28-22(26-15-13-25(14-16-26)20-7-3-4-10-23-20)18-31-21-9-8-19(17-24-21)32(29,30)27-11-5-1-2-6-12-27/h3-4,7-10,17H,1-2,5-6,11-16,18H2