2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C22H28FN4O4S2+ MolecularWeight: 495.610523

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H27FN4O4S2/c23-18-4-6-19(7-5-18)33(30,31)27-9-2-8-24(10-15-27)17-21(28)25-11-13-26(14-12-25)22(29)20-3-1-16-32-20/h1,3-7,16H,2,8-15,17H2/p+1