2-[12-(phenylcarbamoylamino)dodecylamino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[12-(phenylcarbamoylamino)dodecylamino]ethylsulfanylphosphonic acid Openeye Name: 2-[12-(phenylcarbamoylamino)dodecylamino]ethylsulfanylphosphonic acid CAS Name: [2-[12-[[anilino(oxo)methyl]amino]dodecylamino]ethylthio]phosphonic acid IUPAC Name: 2-[12-(phenylcarbamoylamino)dodecylamino]ethylsulfanylphosphonic acid Traditional Name: [2-[12-(phenylcarbamoylamino)dodecylamino]ethylthio]phosphonic acid Formula: C21H38N3O4PS MolecularWeight: 459.582881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCCCCCCCCCCCCNCCSP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCCCCCCCCCCCCNCCSP(=O)(O)O

InChI

InChI=1S/C21H38N3O4PS/c25-21(24-20-14-10-9-11-15-20)23-17-13-8-6-4-2-1-3-5-7-12-16-22-18-19-30-29(26,27)28/h9-11,14-15,22H,1-8,12-13,16-19H2,(H2,23,24,25)(H2,26,27,28)