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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3)C

InChI

InChI=1S/C20H27N3O3S2/c1-16-5-6-19(17(2)14-16)28(25,26)23-11-9-22(10-12-23)15-20(24)21-8-7-18-4-3-13-27-18/h3-6,13-14H,7-12,15H2,1-2H3,(H,21,24)/p+1