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

Systemtic Name: N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H27N3O5S/c1-16(25)22-18-4-7-20(8-5-18)30(26,27)24-12-10-23(11-13-24)15-17-14-19(28-2)6-9-21(17)29-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1