[1-(heptylsulfonylamino)-2-methyl-1-pyridin-3-yl-propan-2-yl] dihydrogen phosphate

Systemtic Name: [1-(heptylsulfonylamino)-2-methyl-1-pyridin-3-yl-propan-2-yl] dihydrogen phosphate Openeye Name: [2-(heptylsulfonylamino)-1,1-dimethyl-2-(3-pyridyl)ethyl] dihydrogen phosphate CAS Name: [1-(heptylsulfonylamino)-2-methyl-1-(3-pyridinyl)propan-2-yl] dihydrogen phosphate IUPAC Name: [1-(heptylsulfonylamino)-2-methyl-1-pyridin-3-ylpropan-2-yl] dihydrogen phosphate Traditional Name: [2-(heptylsulfonylamino)-1,1-dimethyl-2-(3-pyridyl)ethyl] dihydrogen phosphate Formula: C16H29N2O6PS MolecularWeight: 408.450021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)NC(C1=CN=CC=C1)C(C)(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCCS(=O)(=O)NC(C1=CN=CC=C1)C(C)(C)OP(=O)(O)O

InChI

InChI=1S/C16H29N2O6PS/c1-4-5-6-7-8-12-26(22,23)18-15(14-10-9-11-17-13-14)16(2,3)24-25(19,20)21/h9-11,13,15,18H,4-8,12H2,1-3H3,(H2,19,20,21)