33456-68-7
P-[2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2(1H)-ISOQUINOLYL)ETHYL]BENZENESULPHONAMIDE
NameP-[2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2(1H)-ISOQUINOLYL)ETHYL]BENZENESULPHONAMIDE
1Identification
【Name】
P-[2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2(1H)-ISOQUINOLYL)ETHYL]BENZENESULPHONAMIDE
【CAS】
【MDL】
MFCD09031244
【English Synonyms】
【Formula】
C20 H22 N2 O5 S
【MolWeight】
402.469
【Inchi】
InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
【InChIKey】
InChIKey=YJHGEYXLMLMFCF-UHFFFAOYSA-N
【SMILES】
CC1(c2ccc(cc2C(=O)N(C1=O)CCc3ccc(cc3)S(=O)(=O)N)OC)C
【MOL File】
P-[2-(3,4-DIHYDRO-7-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
P-[2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2(1H)-ISOQUINOLYL)ETHYL]BENZENESULPHONAMIDE.cml