[2-[[4-(methylsulfonylamino)phenyl]amino]-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid

Systemtic Name: [2-[[4-(methylsulfonylamino)phenyl]amino]-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid Openeye Name: [2-[4-(methanesulfonamido)anilino]-1-phosphono-2-thioxo-ethyl]phosphonic acid CAS Name: [2-[4-(methanesulfonamido)anilino]-1-phosphono-2-sulfanylideneethyl]phosphonic acid IUPAC Name: [2-[4-(methanesulfonamido)anilino]-1-phosphono-2-sulfanylideneethyl]phosphonic acid Traditional Name: [2-[4-(methanesulfonamido)anilino]-1-phosphono-2-thioxo-ethyl]phosphonic acid Formula: C9H14N2O8P2S2 MolecularWeight: 404.293582

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)NC(=S)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)NC(=S)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H14N2O8P2S2/c1-23(18,19)11-7-4-2-6(3-5-7)10-8(22)9(20(12,13)14)21(15,16)17/h2-5,9,11H,1H3,(H,10,22)(H2,12,13,14)(H2,15,16,17)