3-[hydroxymethyl-[hydroxymethyl(3-phosphonopentan-3-yl)sulfamoyl]amino]pentan-3-ylphosphonic acid

Systemtic Name: 3-[hydroxymethyl-[hydroxymethyl(3-phosphonopentan-3-yl)sulfamoyl]amino]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[[(1-ethyl-1-phosphono-propyl)-(hydroxymethyl)sulfamoyl]-(hydroxymethyl)amino]propyl]phosphonic acid CAS Name: 3-[hydroxymethyl-[hydroxymethyl(3-phosphonopentan-3-yl)sulfamoyl]amino]pentan-3-ylphosphonic acid IUPAC Name: 3-[hydroxymethyl-[hydroxymethyl(3-phosphonopentan-3-yl)sulfamoyl]amino]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[[(1-ethyl-1-phosphono-propyl)-methylol-sulfamoyl]-methylol-amino]propyl]phosphonic acid Formula: C12H30N2O10P2S MolecularWeight: 456.386522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(N(CO)S(=O)(=O)N(CO)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(N(CO)S(=O)(=O)N(CO)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H30N2O10P2S/c1-5-11(6-2,25(17,18)19)13(9-15)27(23,24)14(10-16)12(7-3,8-4)26(20,21)22/h15-16H,5-10H2,1-4H3,(H2,17,18,19)(H2,20,21,22)