disodium [2-(2-pentylsulfonylethanoylamino)-2-phenyl-ethyl] phosphate

Systemtic Name: disodium [2-(2-pentylsulfonylethanoylamino)-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-[(2-pentylsulfonylacetyl)amino]-2-phenyl-ethyl] phosphate CAS Name: disodium [2-[(1-oxo-2-pentylsulfonylethyl)amino]-2-phenylethyl] phosphate IUPAC Name: disodium [2-[(2-pentylsulfonylacetyl)amino]-2-phenylethyl] phosphate Traditional Name: disodium [2-[(2-amylsulfonylacetyl)amino]-2-phenyl-ethyl] phosphate Formula: C15H22NNa2O7PS MolecularWeight: 437.355981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)CC(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=C1.[Na+].[Na+]

Isomeric SMILES

CCCCCS(=O)(=O)CC(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=C1.[Na+].[Na+]

InChI

InChI=1S/C15H24NO7PS.2Na/c1-2-3-7-10-25(21,22)12-15(17)16-14(11-23-24(18,19)20)13-8-5-4-6-9-13;;/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,16,17)(H2,18,19,20);;/q;2*+1/p-2