N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2,5-bis(fluoranyl)benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2,5-bis(fluoranyl)benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-2,5-difluoro-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-2,5-difluorobenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2,5-difluorobenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-2,5-difluoro-benzamide Formula: C24H31F2N4O3S+ MolecularWeight: 493.589746

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=C(C=CC(=C4)F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C24H30F2N4O3S/c1-2-28-12-14-29(15-13-28)23-9-7-19(34(32,33)30-10-4-3-5-11-30)17-22(23)27-24(31)20-16-18(25)6-8-21(20)26/h6-9,16-17H,2-5,10-15H2,1H3,(H,27,31)/p+1