N-[4-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C22H30N3O6S+ MolecularWeight: 464.5551

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C22H29N3O6S/c1-16(26)23-18-5-7-19(8-6-18)32(27,28)25-11-9-24(10-12-25)15-17-13-21(30-3)22(31-4)14-20(17)29-2/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)/p+1