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

Systemtic Name: 2-[4-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-phenoxy]-N-cyclohexyl-ethanamide Openeye Name: 2-[4-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-phenoxy]-N-cyclohexyl-acetamide CAS Name: 2-[4-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-methylphenoxy]-N-cyclohexylacetamide IUPAC Name: 2-[4-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylphenoxy]-N-cyclohexylacetamide Traditional Name: 2-[4-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-phenoxy]-N-cyclohexyl-acetamide Formula: C21H33ClN3O4S+ MolecularWeight: 459.02242

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)NC3CCCCC3)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)NC3CCCCC3)C)Cl

InChI

InChI=1S/C21H32ClN3O4S/c1-3-24-9-11-25(12-10-24)30(27,28)20-14-19(16(2)13-18(20)22)29-15-21(26)23-17-7-5-4-6-8-17/h13-14,17H,3-12,15H2,1-2H3,(H,23,26)/p+1