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LXV

Summary
Name:2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide
Formula:C12 H15 Br2 N3 O2 S
Formal charge:0
Formula weight:425.139 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide
OpenEye OEToolkits1.7.02,5-dibromo-N-[(3R,5S)-1-(iminomethyl)-5-methyl-pyrrolidin-3-yl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1cc(c(Br)cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C
SMILES_CANONICALCACTVS3.370C[C@H]1C[C@H](CN1C=N)N[S](=O)(=O)c2cc(Br)ccc2Br
SMILESCACTVS3.370C[CH]1C[CH](CN1C=N)N[S](=O)(=O)c2cc(Br)ccc2Br
SMILES_CANONICALOpenEye OEToolkits1.7.0[H]/N=C\N1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2cc(ccc2Br)Br
SMILESOpenEye OEToolkits1.7.0CC1CC(CN1C=N)NS(=O)(=O)c2cc(ccc2Br)Br
InChIInChI1.03InChI=1S/C12H15Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,7-8,10,15-16H,4,6H2,1H3/b15-7+/t8-,10+/m0/s1
InChIKeyInChI1.03HCQNBMQEPLAEIJ-NCAHPRJNSA-N

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건을2024-07-10부터공개중

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