[2-[[4-(methylsulfonylamino)phenyl]sulfanylamino]-2-oxidanylidene-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[[4-(methylsulfonylamino)phenyl]sulfanylamino]-2-oxidanylidene-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[[4-(methanesulfonamido)phenyl]sulfanylamino]-2-oxo-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[[[4-(methanesulfonamido)phenyl]thio]amino]-2-oxo-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[[4-(methanesulfonamido)phenyl]sulfanylamino]-2-oxo-1-phosphonoethyl]phosphonic acid Traditional Name: [2-keto-2-[[[4-(methanesulfonamido)phenyl]thio]amino]-1-phosphono-ethyl]phosphonic acid Formula: C9H14N2O9P2S2 MolecularWeight: 420.292982

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)SNC(=O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)SNC(=O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H14N2O9P2S2/c1-24(19,20)11-6-2-4-7(5-3-6)23-10-8(12)9(21(13,14)15)22(16,17)18/h2-5,9,11H,1H3,(H,10,12)(H2,13,14,15)(H2,16,17,18)