885268-86-0
1-[4-(2-METHOXYPHENOXY)PHENYLSULFONYLAMINO]CYCLOHEXANECARBOXYLIC ACID
Name1-[4-(2-METHOXYPHENOXY)PHENYLSULFONYLAMINO]CYCLOHEXANECARBOXYLIC ACID
1Identification
【Name】
1-[4-(2-METHOXYPHENOXY)PHENYLSULFONYLAMINO]CYCLOHEXANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD06409364
【English Synonyms】
【Formula】
C20 H23 N O6 S
【MolWeight】
405.469
【Inchi】
InChI=1S/C20H23NO6S/c1-26-17-7-3-4-8-18(17)27-15-9-11-16(12-10-15)28(24,25)21-20(19(22)23)13-5-2-6-14-20/h3-4,7-12,21H,2,5-6,13-14H2,1H3,(H,22,23)
【InChIKey】
InChIKey=XATZWHDKMQOVQQ-UHFFFAOYSA-N
【SMILES】
COc1ccccc1Oc2ccc(cc2)S(=O)(=O)NC3(CCCCC3)C(=O)O
【MOL File】
1-[4-(2-METHOXYPHENO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[4-(2-METHOXYPHENOXY)PHENYLSULFONYLAMINO]CYCLOHEXANECARBOXYLIC ACID.cml