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

Systemtic Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-N-ethyl-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C17H28N3O4S+ MolecularWeight: 370.48692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4S/c1-4-18-17(21)14(3)19-10-12-20(13-11-19)25(22,23)16-8-6-15(7-9-16)24-5-2/h6-9,14H,4-5,10-13H2,1-3H3,(H,18,21)/p+1/t14-/m0/s1