926221-69-4
2-(4-[(3,4-DIMETHYLBENZENE)(METHYL)SULFONAMIDO]PHENOXY)PROPANOIC ACID
Name2-(4-[(3,4-DIMETHYLBENZENE)(METHYL)SULFONAMIDO]PHENOXY)PROPANOIC ACID
pro_formulaC18 H21 N O5 S
1Identification
【Name】
2-(4-[(3,4-DIMETHYLBENZENE)(METHYL)SULFONAMIDO]PHENOXY)PROPANOIC ACID
【CAS】
【MDL】
MFCD09047551
【EnglishSynonyms】
【pro_formula】
C18 H21 N O5 S
【pro_molWeight】
363.432
【Inchi】
InChI=1S/C18H21NO5S/c1-12-5-10-17(11-13(12)2)25(22,23)19(4)15-6-8-16(9-7-15)24-14(3)18(20)21/h5-11,14H,1-4H3,(H,20,21)
【InChIKey】
InChIKey=FEZKJLVVIYKZOW-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)S(=O)(=O)N(C)c2ccc(cc2)OC(C)C(=O)O
【MOL File】
2-(4-[(3,4-DIMETHYLB….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(4-[(3,4-DIMETHYLBENZENE)(METHYL)SULFONAMIDO]PHENOXY)PROPANOIC ACID.cml