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

Systemtic Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: N-[(2S)-2-phenylpropyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: N-[(2S)-2-phenylpropyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-20(22-10-6-3-7-11-22)18-24-23(27)19-25-13-15-26(16-14-25)30(28,29)17-12-21-8-4-2-5-9-21/h2-12,17,20H,13-16,18-19H2,1H3,(H,24,27)/p+1/b17-12+/t20-/m1/s1