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

Systemtic Name: N-(butylcarbamoyl)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide Formula: C15H24ClN4O4S2+ MolecularWeight: 423.95846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClN4O4S2/c1-2-3-6-17-15(22)18-13(21)11-19-7-9-20(10-8-19)26(23,24)14-5-4-12(16)25-14/h4-5H,2-3,6-11H2,1H3,(H2,17,18,21,22)/p+1