N-(3-ethanoylphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-acetylphenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-acetylphenyl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-17(25)19-8-5-9-20(14-19)22-21(26)15-23-10-12-24(13-11-23)29(27,28)16-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3,(H,22,26)/p+1