N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]-2-(2-thienyl)acetamide CAS Name: N-[2-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]ethyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide Traditional Name: N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]-2-(2-thienyl)acetamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)CCNC(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)CCNC(=O)CC3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c24-20(17-19-7-4-15-27-19)21-9-16-28(25,26)23-13-11-22(12-14-23)10-8-18-5-2-1-3-6-18/h1-7,15H,8-14,16-17H2,(H,21,24)/p+1