(3-carboxythiomorpholin-4-yl)sulfonyl-(2,3-dihydro-1H-benzimidazol-5-yl)-oxidanylidene-azanium

Systemtic Name: (3-carboxythiomorpholin-4-yl)sulfonyl-(2,3-dihydro-1H-benzimidazol-5-yl)-oxidanylidene-azanium Openeye Name: (3-carboxythiomorpholin-4-yl)sulfonyl-(2,3-dihydro-1H-benzimidazol-5-yl)-oxo-ammonium CAS Name: (3-carboxy-4-thiomorpholinyl)sulfonyl-(2,3-dihydro-1H-benzimidazol-5-yl)-oxoammonium IUPAC Name: (3-carboxythiomorpholin-4-yl)sulfonyl-(2,3-dihydro-1H-benzimidazol-5-yl)-oxoazanium Traditional Name: (3-carboxythiomorpholin-4-yl)sulfonyl-(2,3-dihydro-1H-benzimidazol-5-yl)-keto-ammonium Formula: C12H15N4O5S2+ MolecularWeight: 359.4013

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(N1S(=O)(=O)[N+](=O)C2=CC3=C(C=C2)NCN3)C(=O)O

Isomeric SMILES

C1CSCC(N1S(=O)(=O)[N+](=O)C2=CC3=C(C=C2)NCN3)C(=O)O

InChI

InChI=1S/C12H14N4O5S2/c17-12(18)11-6-22-4-3-15(11)23(20,21)16(19)8-1-2-9-10(5-8)14-7-13-9/h1-2,5,11,14H,3-4,6-7H2,(H-,13,17,18,19)/p+1