N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C25H34FN4O3S+ MolecularWeight: 489.625863

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H33FN4O3S/c1-3-28-14-16-29(17-15-28)24-9-6-22(18-19(24)2)27-25(31)20-10-12-30(13-11-20)34(32,33)23-7-4-21(26)5-8-23/h4-9,18,20H,3,10-17H2,1-2H3,(H,27,31)/p+1