2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]acetamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CS2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CS2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3S2/c23-19(20-9-8-18-7-4-14-26-18)15-21-10-12-22(13-11-21)27(24,25)16-17-5-2-1-3-6-17/h1-7,14H,8-13,15-16H2,(H,20,23)/p+1