9C0

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Summary

Name:9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
Formula:C17 H20 N2 O2 S
Formal charge:0
Molecular weight:316.418 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.69-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H20N2O2S/c1-17(2,3)14-8-6-13(7-9-14)15-5-4-10-19-11-12-22(20,21)18-16(15)19/h4-10H,11-12H2,1-3H3
InChIKeyInChI1.03NFUZLMGYOAJDAK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
SMILESCACTVS3.385CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3
SMILESOpenEye OEToolkits2.0.6CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3