[2-(3-methylsulfonylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate

Systemtic Name: [2-(3-methylsulfonylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate Openeye Name: [2-(3-methylsulfonylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate CAS Name: [2-(3-methylsulfonylphenyl)-2-(1-oxooctylamino)ethyl] dihydrogen phosphate IUPAC Name: [2-(3-methylsulfonylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate Traditional Name: [2-(caprylylamino)-2-(3-mesylphenyl)ethyl] dihydrogen phosphate Formula: C17H28NO7PS MolecularWeight: 421.445481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C17H28NO7PS/c1-3-4-5-6-7-11-17(19)18-16(13-25-26(20,21)22)14-9-8-10-15(12-14)27(2,23)24/h8-10,12,16H,3-7,11,13H2,1-2H3,(H,18,19)(H2,20,21,22)