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

Systemtic Name: (2S)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-ethyl-propionamide Formula: C13H21BrN3O3S2+ MolecularWeight: 411.35814

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H20BrN3O3S2/c1-3-15-13(18)10(2)16-6-8-17(9-7-16)22(19,20)12-5-4-11(14)21-12/h4-5,10H,3,6-9H2,1-2H3,(H,15,18)/p+1/t10-/m0/s1