885268-84-8
4-[4-(2-METHOXYPHENOXY)PHENYLSULFONYLAMINOMETHYL]BENZOIC ACID
Name4-[4-(2-METHOXYPHENOXY)PHENYLSULFONYLAMINOMETHYL]BENZOIC ACID
1Identification
【Name】
4-[4-(2-METHOXYPHENOXY)PHENYLSULFONYLAMINOMETHYL]BENZOIC ACID
【CAS】
【MDL】
MFCD06409361
【English Synonyms】
【Formula】
C21 H19 N O6 S
【MolWeight】
413.448
【Inchi】
InChI=1S/C21H19NO6S/c1-27-19-4-2-3-5-20(19)28-17-10-12-18(13-11-17)29(25,26)22-14-15-6-8-16(9-7-15)21(23)24/h2-13,22H,14H2,1H3,(H,23,24)
【InChIKey】
InChIKey=SQSVKGCKTUPPME-UHFFFAOYSA-N
【SMILES】
COc1ccccc1Oc2ccc(cc2)S(=O)(=O)NCc3ccc(cc3)C(=O)O
【MOL File】
4-[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
4-[4-(2-METHOXYPHENOXY)PHENYLSULFONYLAMINOMETHYL]BENZOIC ACID.cml