4-chloranyl-2-fluoranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]benzamide

Systemtic Name: 4-chloranyl-2-fluoranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]benzamide Openeye Name: 4-chloro-2-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-chloro-2-fluoro-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-chloro-2-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide Traditional Name: 4-chloro-2-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]benzamide Formula: C23H29ClFN4O3S+ MolecularWeight: 496.017763

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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)C4=C(C=C(C=C4)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClFN4O3S/c1-27-11-13-28(14-12-27)22-8-6-18(33(31,32)29-9-3-2-4-10-29)16-21(22)26-23(30)19-7-5-17(24)15-20(19)25/h5-8,15-16H,2-4,9-14H2,1H3,(H,26,30)/p+1