2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C22H28FN5O3S MolecularWeight: 461.552823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H28FN5O3S/c23-19-5-7-20(8-6-19)32(30,31)28-11-3-10-25(12-17-28)18-22(29)27-15-13-26(14-16-27)21-4-1-2-9-24-21/h1-2,4-9H,3,10-18H2