N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-2-(2-methylphenoxy)acetamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O5S/c1-18-5-3-4-6-21(18)30-17-22(26)23-11-12-24-13-15-25(16-14-24)31(27,28)20-9-7-19(29-2)8-10-20/h3-10H,11-17H2,1-2H3,(H,23,26)/p+1