2-(4-fluoranylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide

Systemtic Name: 2-(4-fluoranylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide Openeye Name: 2-(4-fluorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(4-fluorophenoxy)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-fluorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide Traditional Name: 2-(4-fluorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]acetamide Formula: C24H32FN4O4S+ MolecularWeight: 491.598683

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=C(C=C4)F

InChI

InChI=1S/C24H31FN4O4S/c1-27-13-15-28(16-14-27)23-10-9-21(34(31,32)29-11-3-2-4-12-29)17-22(23)26-24(30)18-33-20-7-5-19(25)6-8-20/h5-10,17H,2-4,11-16,18H2,1H3,(H,26,30)/p+1