2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: N-[(1S)-1-methylbutyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-4-5-16(3)19-18(22)14-20-10-12-21(13-11-20)25(23,24)17-8-6-15(2)7-9-17/h6-9,16H,4-5,10-14H2,1-3H3,(H,19,22)/p+1/t16-/m0/s1