N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C25H32F3N4O3S+ MolecularWeight: 525.60679

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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=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C25H31F3N4O3S/c1-2-30-13-15-31(16-14-30)23-10-9-21(36(34,35)32-11-4-3-5-12-32)18-22(23)29-24(33)19-7-6-8-20(17-19)25(26,27)28/h6-10,17-18H,2-5,11-16H2,1H3,(H,29,33)/p+1