N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-fluoranyl-benzamide

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-fluoranyl-benzamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-benzamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-fluorobenzamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-fluorobenzamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-benzamide Formula: C19H20BrF3N3O3S+ MolecularWeight: 507.34461

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3Br)F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3Br)F)F

InChI

InChI=1S/C19H19BrF3N3O3S/c1-2-25-5-7-26(8-6-25)30(28,29)13-3-4-16(22)14(11-13)19(27)24-18-15(20)9-12(21)10-17(18)23/h3-4,9-11H,2,5-8H2,1H3,(H,24,27)/p+1