(2S)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: (2S)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: (2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: (2S)-2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: (2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: (2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C22H26N5O5S+ MolecularWeight: 472.53734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C22H25N5O5S/c1-14(21(29)23-17-5-8-19-20(13-17)25-22(30)24-19)26-9-11-27(12-10-26)33(31,32)18-6-3-16(4-7-18)15(2)28/h3-8,13-14H,9-12H2,1-2H3,(H,23,29)(H2,24,25,30)/p+1/t14-/m0/s1