N-[(2S)-heptan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylhexyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-3-4-6-9-19(2)22-21(25)18-23-13-15-24(16-14-23)28(26,27)17-12-20-10-7-5-8-11-20/h5,7-8,10-12,17,19H,3-4,6,9,13-16,18H2,1-2H3,(H,22,25)/p+1/b17-12+/t19-/m0/s1