20J

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Summary

Name:7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
Formula:C8 H7 Cl N2 O2 S
Formal charge:0
Molecular weight:230.671 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
OpenEye OEToolkits1.7.67-chloranyl-3-methyl-2H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc2N=C(NS(=O)(=O)c2c1)C
InChIInChI1.03InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
InChIKeyInChI1.03GDLBFKVLRPITMI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=Nc2ccc(Cl)cc2[S](=O)(=O)N1
SMILESCACTVS3.385CC1=Nc2ccc(Cl)cc2[S](=O)(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl
SMILESOpenEye OEToolkits1.7.6CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl
167327
PDB entries from 2020-08-05