957029-95-7
2-[(3AR)-3A-METHYL-5-OXO-1-(PHENYLSULFONYL)OCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL BENZENESULFONATE
Name
2-[(3AR)-3A-METHYL-5-OXO-1-(PHENYLSULFONYL)OCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL BENZENESULFONATE
Formula
C25 H24 N2 O6 S2
MolWeight
512.605
1Identification
【Name】
2-[(3AR)-3A-METHYL-5-OXO-1-(PHENYLSULFONYL)OCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL BENZENESULFONATE
【CAS】
【MDL】
MFCD05670068
【English Synonyms】
【Formula】
C25 H24 N2 O6 S2
【MolWeight】
512.605
【Inchi】
InChI=1S/C25H24N2O6S2/c1-25-16-21(20-14-8-9-15-22(20)33-35(31,32)19-12-6-3-7-13-19)27(24(25)26-23(28)17-25)34(29,30)18-10-4-2-5-11-18/h2-15,21,24H,16-17H2,1H3,(H,26,28)/t21?,24?,25-/m1/s1
【InChIKey】
InChIKey=FHXOUBYDJVUAFZ-ZZVXHFGESA-N
【SMILES】
C[C@]12CC(N(C1NC(=O)C2)S(=O)(=O)c3ccccc3)c4ccccc4OS(=O)(=O)c5ccccc5
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(3AR)-3A-METHYL-5-OXO-1-(PHENYLSULFONYL)OCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL BENZENESULFONATE.cml
Quick Release
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