2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O3S/c1-5-6-17(4)20-19(23)14-21-9-11-22(12-10-21)26(24,25)18-13-15(2)7-8-16(18)3/h7-8,13,17H,5-6,9-12,14H2,1-4H3,(H,20,23)/p+1/t17-/m0/s1