1-(4-fluorophenyl)sulfonyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-1,4-diazepane Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-1,4-diazepane CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-1,4-diazepane Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-1,4-diazepane Formula: C21H29FN5O4S2+ MolecularWeight: 498.614463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H28FN5O4S2/c1-24-11-14-27(15-12-24)33(30,31)20-7-8-21(23-17-20)25-9-2-10-26(16-13-25)32(28,29)19-5-3-18(22)4-6-19/h3-8,17H,2,9-16H2,1H3/p+1