(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propionamide Formula: C15H23ClN3O3S+ MolecularWeight: 360.87942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3O3S/c1-3-17-15(20)12(2)18-7-9-19(10-8-18)23(21,22)14-6-4-5-13(16)11-14/h4-6,11-12H,3,7-10H2,1-2H3,(H,17,20)/p+1/t12-/m0/s1