N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C22H29ClN3O5S+ MolecularWeight: 483.00076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H28ClN3O5S/c1-30-17-3-5-18(6-4-17)31-14-13-25-9-11-26(12-10-25)16-22(27)24-21-15-19(32(2,28)29)7-8-20(21)23/h3-8,15H,9-14,16H2,1-2H3,(H,24,27)/p+1