2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide Formula: C16H28N3O3S2+ MolecularWeight: 374.54182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C

InChI

InChI=1S/C16H27N3O3S2/c1-4-14(5-2)17-15(20)12-18-8-10-19(11-9-18)24(21,22)16-7-6-13(3)23-16/h6-7,14H,4-5,8-12H2,1-3H3,(H,17,20)/p+1