N-[4-[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(2-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(2-ethoxybenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-3-28-21-7-5-4-6-18(21)16-23-12-14-24(15-13-23)29(26,27)20-10-8-19(9-11-20)22-17(2)25/h4-11H,3,12-16H2,1-2H3,(H,22,25)/p+1