N-[4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-16(25)22-18-4-8-20(9-5-18)29(26,27)24-12-10-23(11-13-24)14-15-28-19-6-2-17(21)3-7-19/h2-9H,10-15H2,1H3,(H,22,25)/p+1