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LSM-36598

PropertiesImage
MNX_IDMNXM529841 Image of MNXM529841
referencechebi:125136
formulaC20H21FN2O2S
global charge0
mol weight372.465
InChIKeyUSVXCIRVBCJGRA-UFRUDQCGSA-N
InChIInChI=1S/C20H21FN2O2S/c1-2-5-14-8-10-15(11-9-14)20-17-12-23(13-18(20)22-17)26(24,25)19-7-4-3-6-16(19)21/h2-11,17-18,20,22H,12-13H2,1H3/t17-,18+,20?
SMILESCC=CC1=CC=C(C2[C@@H]3CN(S(=O)(=O)C4=CC=CC=C4F)C[C@H]2N3)C=C1
MNX internals
InChI (mnx)InChI=1/C20H21FN2O2S/c1-2-5-14-8-10-15(11-9-14)20-17-12-23(13-18(20)22-17)26(24,25)19-7-4-3-6-16(19)21/h2-11,17-18,20,22H,12-13H2,1H3/b5-2?/t17-,18+,20? Image of MNXM529841
SMILES (mnx)[CH3:1][CH:2]=[CH:5][C:14]1=[CH:9][CH:11]=[C:15]([CH:20]2[C@@H:17]3[CH2:12][N:23]([S:26]([C:19]4=[CH:7][CH:4]=[CH:3][CH:6]=[C:16]4[F:21])(=[O:24])=[O:25])[CH2:13][C@H:18]2[NH:22]3)[CH:10]=[CH:8]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:125136
chebi:125136
USVXCIRVBCJGRA-UFRUDQCGSA-N 		LSM-36598