2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzylphenyl)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide Formula: C23H25ClN3O3S2+ MolecularWeight: 491.0459

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H24ClN3O3S2/c24-21-10-11-23(31-21)32(29,30)27-14-12-26(13-15-27)17-22(28)25-20-9-5-4-8-19(20)16-18-6-2-1-3-7-18/h1-11H,12-17H2,(H,25,28)/p+1