N-(4-bromanyl-2-fluoranyl-phenyl)-5-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2-fluoranyl-benzamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-5-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2-fluoranyl-benzamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-5-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-benzamide CAS Name: N-(4-bromo-2-fluorophenyl)-5-[(4-cyclohexyl-1-piperazin-4-iumyl)sulfonyl]-2-fluorobenzamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-5-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2-fluorobenzamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-5-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-benzamide Formula: C23H27BrF2N3O3S+ MolecularWeight: 543.444586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C23H26BrF2N3O3S/c24-16-6-9-22(21(26)14-16)27-23(30)19-15-18(7-8-20(19)25)33(31,32)29-12-10-28(11-13-29)17-4-2-1-3-5-17/h6-9,14-15,17H,1-5,10-13H2,(H,27,30)/p+1