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R80

Summary
Name:(5S)-6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazinane-1,1,3-trione
Formula:C11 H12 Cl2 N2 O3 S
Formal charge:0
Formula weight:323.196 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5S)-6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazinane-1,1,3-trione
OpenEye OEToolkits2.0.76-[(3,4-dichlorophenyl)methyl]-5-methyl-1,1-bis(oxidanylidene)-1,2,6-thiadiazinan-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1CC(C)N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1
InChIInChI1.06InChI=1S/C11H12Cl2N2O3S/c1-7-4-11(16)14-19(17,18)15(7)6-8-2-3-9(12)10(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyInChI1.06YDNHYTFVPIAPCK-ZETCQYMHSA-N
SMILES_CANONICALCACTVS3.385C[C@H]1CC(=O)N[S](=O)(=O)N1Cc2ccc(Cl)c(Cl)c2
SMILESCACTVS3.385C[CH]1CC(=O)N[S](=O)(=O)N1Cc2ccc(Cl)c(Cl)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1CC(=O)NS(=O)(=O)N1Cc2ccc(c(c2)Cl)Cl
SMILESOpenEye OEToolkits2.0.7CC1CC(=O)NS(=O)(=O)N1Cc2ccc(c(c2)Cl)Cl

222415

건을2024-07-10부터공개중

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