2-[4-chloranyl-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenoxy]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[4-chloranyl-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenoxy]-N-cyclohexyl-ethanamide Openeye Name: 2-[4-chloro-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenoxy]-N-cyclohexyl-acetamide CAS Name: 2-[4-chloro-2-methyl-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenoxy]-N-cyclohexylacetamide IUPAC Name: 2-[4-chloro-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenoxy]-N-cyclohexylacetamide Traditional Name: 2-[4-chloro-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenoxy]-N-cyclohexyl-acetamide Formula: C24H32ClN4O4S+ MolecularWeight: 508.05328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Cl

InChI

InChI=1S/C24H31ClN4O4S/c1-18-15-20(25)22(16-21(18)33-17-24(30)27-19-7-3-2-4-8-19)34(31,32)29-13-11-28(12-14-29)23-9-5-6-10-26-23/h5-6,9-10,15-16,19H,2-4,7-8,11-14,17H2,1H3,(H,27,30)/p+1