(3-methylsulfonylphenyl) [2-oxidanylidene-2-[(5-prop-2-enylpyridin-3-yl)amino]ethyl] phosphate

Systemtic Name: (3-methylsulfonylphenyl) [2-oxidanylidene-2-[(5-prop-2-enylpyridin-3-yl)amino]ethyl] phosphate Openeye Name: [2-[(5-allyl-3-pyridyl)amino]-2-oxo-ethyl] (3-methylsulfonylphenyl) phosphate CAS Name: (3-methylsulfonylphenyl) [2-oxo-2-[(5-prop-2-enyl-3-pyridinyl)amino]ethyl] phosphate IUPAC Name: (3-methylsulfonylphenyl) [2-oxo-2-[(5-prop-2-enylpyridin-3-yl)amino]ethyl] phosphate Traditional Name: [2-[(5-allyl-3-pyridyl)amino]-2-keto-ethyl] (3-mesylphenyl) phosphate Formula: C17H18N2O7PS- MolecularWeight: 425.372781

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)OP(=O)([O-])OCC(=O)NC2=CN=CC(=C2)CC=C

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)OP(=O)([O-])OCC(=O)NC2=CN=CC(=C2)CC=C

InChI

InChI=1S/C17H19N2O7PS/c1-3-5-13-8-14(11-18-10-13)19-17(20)12-25-27(21,22)26-15-6-4-7-16(9-15)28(2,23)24/h3-4,6-11H,1,5,12H2,2H3,(H,19,20)(H,21,22)/p-1