452973-44-3
(1S,2R)-1-PHENYL-2-(N,2,4,6-TETRAMETHYLPHENYLSULFONAMIDO)PROPYL PROPIONATE
Name(1S,2R)-1-PHENYL-2-(N,2,4,6-TETRAMETHYLPHENYLSULFONAMIDO)PROPYL PROPIONATE
pro_formulaC22 H29 N O4 S
1Identification
【Name】
(1S,2R)-1-PHENYL-2-(N,2,4,6-TETRAMETHYLPHENYLSULFONAMIDO)PROPYL PROPIONATE
【CAS】
【MDL】
MFCD16876262
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H29 N O4 S
【pro_molWeight】
403.54
【Inchi】
InChI=1S/C22H29NO4S/c1-7-20(24)27-21(19-11-9-8-10-12-19)18(5)23(6)28(25,26)22-16(3)13-15(2)14-17(22)4/h8-14,18,21H,7H2,1-6H3/t18-,21-/m1/s1
【InChIKey】
InChIKey=VZWVJBJBSMYHTM-WIYYLYMNSA-N
【SMILES】
CCC(=O)O[C@@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c2c(cc(cc2C)C)C
【MOL File】
(1S,2R)-1-PHENYL-2-(….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(1S,2R)-1-PHENYL-2-(N,2,4,6-TETRAMETHYLPHENYLSULFONAMIDO)PROPYL PROPIONATE.cml