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

Systemtic Name: (2S)-2-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethyl-propionamide Formula: C17H26ClN4O4S+ MolecularWeight: 417.93074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4O4S/c1-3-19-17(24)13(2)20-16(23)12-21-7-9-22(10-8-21)27(25,26)15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,24)(H,20,23)/p+1/t13-/m0/s1