[1-[[4-(methylsulfonylamino)phenyl]amino]-3-phosphono-1-sulfanylidene-propan-2-yl]phosphonic acid

Systemtic Name: [1-[[4-(methylsulfonylamino)phenyl]amino]-3-phosphono-1-sulfanylidene-propan-2-yl]phosphonic acid Openeye Name: [2-[4-(methanesulfonamido)anilino]-1-(phosphonomethyl)-2-thioxo-ethyl]phosphonic acid CAS Name: [1-[4-(methanesulfonamido)anilino]-3-phosphono-1-sulfanylidenepropan-2-yl]phosphonic acid IUPAC Name: [1-[4-(methanesulfonamido)anilino]-3-phosphono-1-sulfanylidenepropan-2-yl]phosphonic acid Traditional Name: [2-[4-(methanesulfonamido)anilino]-1-(phosphonomethyl)-2-thioxo-ethyl]phosphonic acid Formula: C10H16N2O8P2S2 MolecularWeight: 418.320162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2O8P2S2/c1-24(19,20)12-8-4-2-7(3-5-8)11-10(23)9(22(16,17)18)6-21(13,14)15/h2-5,9,12H,6H2,1H3,(H,11,23)(H2,13,14,15)(H2,16,17,18)