2-[6-[(2-methylphenyl)carbamoylamino]hexylamino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[6-[(2-methylphenyl)carbamoylamino]hexylamino]ethylsulfanylphosphonic acid Openeye Name: 2-[6-(o-tolylcarbamoylamino)hexylamino]ethylsulfanylphosphonic acid CAS Name: [2-[6-[[(2-methylanilino)-oxomethyl]amino]hexylamino]ethylthio]phosphonic acid IUPAC Name: 2-[6-[(2-methylphenyl)carbamoylamino]hexylamino]ethylsulfanylphosphonic acid Traditional Name: [2-[6-(o-tolylcarbamoylamino)hexylamino]ethylthio]phosphonic acid Formula: C16H28N3O4PS MolecularWeight: 389.449981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCCCCCCNCCSP(=O)(O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCCCCCCNCCSP(=O)(O)O

InChI

InChI=1S/C16H28N3O4PS/c1-14-8-4-5-9-15(14)19-16(20)18-11-7-3-2-6-10-17-12-13-25-24(21,22)23/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3,(H2,18,19,20)(H2,21,22,23)