722467-62-1
(4-[METHYL-(TOLUENE-4-SULFONYL)-AMINO]-PHENOXY)-ACETIC ACID
Name(4-[METHYL-(TOLUENE-4-SULFONYL)-AMINO]-PHENOXY)-ACETIC ACID
1Identification
【Name】
(4-[METHYL-(TOLUENE-4-SULFONYL)-AMINO]-PHENOXY)-ACETIC ACID
【CAS】
【MDL】
MFCD03957574
【English Synonyms】
【Formula】
C16 H17 N O5 S
【MolWeight】
335.378
【Inchi】
InChI=1S/C16H17NO5S/c1-12-3-9-15(10-4-12)23(20,21)17(2)13-5-7-14(8-6-13)22-11-16(18)19/h3-10H,11H2,1-2H3,(H,18,19)
【InChIKey】
InChIKey=LGCHJSYHCNININ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)N(C)c2ccc(cc2)OCC(=O)O
【MOL File】
(4-[METHYL-(TOLUENE-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-[METHYL-(TOLUENE-4-SULFONYL)-AMINO]-PHENOXY)-ACETIC ACID.cml