136057-11-9
DIMETHYL (2S,3AS,8BR)-4-(BENZENESULFONYL)-1,2,3A,8B-TETRAHYDROPYRROLO[2,3-B]INDOLE-2,3-DICARBOXYLATE
NameDIMETHYL (2S,3AS,8BR)-4-(BENZENESULFONYL)-1,2,3A,8B-TETRAHYDROPYRROLO[2,3-B]INDOLE-2,3-DICARBOXYLATE
1Identification
【Name】
DIMETHYL (2S,3AS,8BR)-4-(BENZENESULFONYL)-1,2,3A,8B-TETRAHYDROPYRROLO[2,3-B]INDOLE-2,3-DICARBOXYLATE
【CAS】
【MDL】
MFCD00134559
【English Synonyms】
【Formula】
C20 H20 N2 O6 S
【MolWeight】
416.452
【Inchi】
InChI=1S/C20H20N2O6S/c1-27-19(23)17-12-15-14-10-6-7-11-16(14)22(18(15)21(17)20(24)28-2)29(25,26)13-8-4-3-5-9-13/h3-11,15,17-18H,12H2,1-2H3/t15-,17+,18+/m1/s1
【InChIKey】
InChIKey=AKYNJSOECBBYGA-NJAFHUGGSA-N
【SMILES】
COC(=O)[C@@H]1C[C@@H]2c3ccccc3N([C@@H]2N1C(=O)OC)S(=O)(=O)c4ccccc4
【MOL File】
DIMETHYL (2S,3AS,8BR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIMETHYL (2S,3AS,8BR)-4-(BENZENESULFONYL)-1,2,3A,8B-TETRAHYDROPYRROLO[2,3-B]INDOLE-2,3-DICARBOXYLATE.cml