2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide Formula: C17H26Cl2N3O3S+ MolecularWeight: 423.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25Cl2N3O3S/c1-3-4-13(2)20-17(23)12-21-7-9-22(10-8-21)26(24,25)14-5-6-15(18)16(19)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,20,23)/p+1/t13-/m0/s1