(2S)-N-ethyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C17H26N3O3S+ MolecularWeight: 352.47164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-3-18-17(21)15(2)19-10-12-20(13-11-19)24(22,23)14-9-16-7-5-4-6-8-16/h4-9,14-15H,3,10-13H2,1-2H3,(H,18,21)/p+1/b14-9+/t15-/m0/s1