885269-44-3
4-(4'-METHOXY-4-BIPHENYLYLSULFONYLAMINOMETHYL)BENZOIC ACID
Name4-(4'-METHOXY-4-BIPHENYLYLSULFONYLAMINOMETHYL)BENZOIC ACID
1Identification
【Name】
4-(4'-METHOXY-4-BIPHENYLYLSULFONYLAMINOMETHYL)BENZOIC ACID
【CAS】
【MDL】
MFCD06409459
【English Synonyms】
【Formula】
C21 H19 N O5 S
【MolWeight】
397.449
【Inchi】
InChI=1S/C21H19NO5S/c1-27-19-10-6-16(7-11-19)17-8-12-20(13-9-17)28(25,26)22-14-15-2-4-18(5-3-15)21(23)24/h2-13,22H,14H2,1H3,(H,23,24)
【InChIKey】
InChIKey=QVOYNMQWWYYZBY-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCc3ccc(cc3)C(=O)O
【MOL File】
4-(4'-METHOXY-4-BIPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4'-METHOXY-4-BIPHENYLYLSULFONYLAMINOMETHYL)BENZOIC ACID.cml