2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-[4-(2-fluorophenyl)sulfonylpiperazino]ethanone Formula: C24H36FN4O4S+ MolecularWeight: 495.630443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C24H35FN4O4S/c25-21-7-3-4-8-22(21)34(32,33)29-17-15-27(16-18-29)23(30)19-26-13-9-20(10-14-26)24(31)28-11-5-1-2-6-12-28/h3-4,7-8,20H,1-2,5-6,9-19H2/p+1