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F19

Summary
Name:2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE
Formula:C12 H14 N O6 P S
Formal charge:0
Formula weight:331.281 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[(naphthalen-2-ylsulfonyl)amino]ethyl dihydrogen phosphate
OpenEye OEToolkits1.5.02-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCCNS(=O)(=O)c2ccc1c(cccc1)c2
SMILES_CANONICALCACTVS3.341O[P](O)(=O)OCCN[S](=O)(=O)c1ccc2ccccc2c1
SMILESCACTVS3.341O[P](O)(=O)OCCN[S](=O)(=O)c1ccc2ccccc2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O
InChIInChI1.03InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16)
InChIKeyInChI1.03FCROUVVWZFPGFM-UHFFFAOYSA-N

220472

PDB entries from 2024-05-29

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