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5E3

Summary
Name:~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
Formula:C17 H18 N2 O5 S
Formal charge:0
Formula weight:362.4 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H18N2O5S/c1-4-12-11-9-13(16(23-3)10-15(11)24-18-12)19-25(20,21)17-8-6-5-7-14(17)22-2/h5-10,19H,4H2,1-3H3
InChIKeyInChI1.03LPTBAUWFDDBHKH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccccc3OC)cc12
SMILESCACTVS3.385CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccccc3OC)cc12
SMILES_CANONICALOpenEye OEToolkits2.0.7CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccccc3OC
SMILESOpenEye OEToolkits2.0.7CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccccc3OC

223532

数据于2024-08-07公开中

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