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

Systemtic Name: 2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-benzylphenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-benzylphenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-benzylphenyl)acetamide Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-21(31)23-11-13-25(14-12-23)35(33,34)30-17-15-29(16-18-30)20-27(32)28-26-10-6-5-9-24(26)19-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3,(H,28,32)/p+1