(2S)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propionamide Formula: C17H28N3O5S+ MolecularWeight: 386.48632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O5S/c1-5-18-17(21)13(2)19-8-10-20(11-9-19)26(22,23)16-12-14(24-3)6-7-15(16)25-4/h6-7,12-13H,5,8-11H2,1-4H3,(H,18,21)/p+1/t13-/m0/s1