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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]cyclohexanecarboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]cyclohexanecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]cyclohexanecarboxamide Formula: C23H37N4O3S+ MolecularWeight: 449.62988

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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)C4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4CCCCC4

InChI

InChI=1S/C23H36N4O3S/c1-25-14-16-26(17-15-25)22-11-10-20(31(29,30)27-12-6-3-7-13-27)18-21(22)24-23(28)19-8-4-2-5-9-19/h10-11,18-19H,2-9,12-17H2,1H3,(H,24,28)/p+1