methylsulfonyl-[2-[[(1S)-1-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]azaniumyl]ethyl]azanide

Systemtic Name: methylsulfonyl-[2-[[(1S)-1-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]azaniumyl]ethyl]azanide Openeye Name: methylsulfonyl-[2-[[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]ammonio]ethyl]azanide CAS Name: methylsulfonyl-[2-[[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]ammonio]ethyl]azanide IUPAC Name: methylsulfonyl-[2-[[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]azaniumyl]ethyl]azanide Traditional Name: 2-[[(1S)-1-(2-keto-1,3-dihydrobenzimidazol-5-yl)ethyl]ammonio]ethyl-mesyl-azanide Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)NC(=O)N2)[NH2+]CC[N-]S(=O)(=O)C

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)NC(=O)N2)[NH2+]CC[N-]S(=O)(=O)C

InChI

InChI=1S/C12H17N4O3S/c1-8(13-5-6-14-20(2,18)19)9-3-4-10-11(7-9)16-12(17)15-10/h3-4,7-8,13H,5-6H2,1-2H3,(H2,15,16,17)/q-1/p+1/t8-/m0/s1