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

Systemtic Name: (2S)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propionamide Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S/c1-4-18-17(22)13(2)19-9-11-20(12-10-19)25(23,24)16-7-5-15(6-8-16)14(3)21/h5-8,13H,4,9-12H2,1-3H3,(H,18,22)/p+1/t13-/m0/s1