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

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H27FN6O3S MolecularWeight: 462.540883

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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=NC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN6O3S/c22-18-3-5-19(6-4-18)32(30,31)28-10-2-9-25(11-16-28)17-20(29)26-12-14-27(15-13-26)21-23-7-1-8-24-21/h1,3-8H,2,9-17H2