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LM-1685

PropertiesImage
MNX_IDMNXM157462 Image of MNXM157462
referencechebi:75392
formulaC18H16ClNO4S
global charge0
mol weight377.849
InChIKeyUBZBOEWMQPWUKB-UHFFFAOYSA-N
InChIInChI=1S/C18H16ClNO4S/c1-24-18(21)17-10-13-9-15(25(2,22)23)7-8-16(13)20(17)11-12-3-5-14(19)6-4-12/h3-10H,11H2,1-2H3
SMILESCOC(=O)C1=CC2=CC(S(C)(=O)=O)=CC=C2N1CC1=CC=C(Cl)C=C1
MNX internals
InChI (mnx)InChI=1/C18H16ClNO4S/c1-24-18(21)17-10-13-9-15(25(2,22)23)7-8-16(13)20(17)11-12-3-5-14(19)6-4-12/h3-10H,11H2,1-2H3 Image of MNXM157462
SMILES (mnx)[CH3:1][O:24][C:18]([C:17]1=[CH:10][C:13]2=[C:16]([CH:8]=[CH:7][C:15]([S:25]([CH3:2])(=[O:22])=[O:23])=[CH:9]2)[N:20]1[CH2:11][C:12]1=[CH:4][CH:6]=[C:14]([Cl:19])[CH:5]=[CH:3]1)=[O:21]
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:75392
chebi:75392
UBZBOEWMQPWUKB-UHFFFAOYSA-N 		LM-1685
methyl 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1H-indole-2-carboxylate