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

Systemtic Name: 3-[bis(fluoranyl)methoxy]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]benzamide Openeye Name: 3-(difluoromethoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 3-(difluoromethoxy)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 3-(difluoromethoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide Traditional Name: 3-(difluoromethoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]benzamide Formula: C25H33F2N4O4S+ MolecularWeight: 523.615726

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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)OC(F)F

Isomeric SMILES

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

InChI

InChI=1S/C25H32F2N4O4S/c1-2-29-13-15-30(16-14-29)23-10-9-21(36(33,34)31-11-4-3-5-12-31)18-22(23)28-24(32)19-7-6-8-20(17-19)35-25(26)27/h6-10,17-18,25H,2-5,11-16H2,1H3,(H,28,32)/p+1