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A1CDK

Summary
Name:6-(azetidin-1-yl)-N-(2-ethoxy-6-methoxybenzene-1-sulfonyl)-4-fluoro-1-benzofuran-2-carboxamide
Formula:C21 H21 F N2 O6 S
Formal charge:0
Formula weight:448.465 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.526-(azetidin-1-yl)-N-(2-ethoxy-6-methoxybenzene-1-sulfonyl)-4-fluoro-1-benzofuran-2-carboxamide
OpenEye OEToolkits3.1.0.06-(azetidin-1-yl)-~{N}-(2-ethoxy-6-methoxy-phenyl)sulfonyl-4-fluoranyl-1-benzofuran-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52COc1cccc(OCC)c1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1
InChIInChI1.06InChI=1S/C21H21FN2O6S/c1-3-29-17-7-4-6-16(28-2)20(17)31(26,27)23-21(25)19-12-14-15(22)10-13(11-18(14)30-19)24-8-5-9-24/h4,6-7,10-12H,3,5,8-9H2,1-2H3,(H,23,25)
InChIKeyInChI1.06KTEYNNFSAYGDIO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1cccc(OC)c1[S](=O)(=O)NC(=O)c2oc3cc(cc(F)c3c2)N4CCC4
SMILESCACTVS3.385CCOc1cccc(OC)c1[S](=O)(=O)NC(=O)c2oc3cc(cc(F)c3c2)N4CCC4
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCOc1cccc(c1S(=O)(=O)NC(=O)c2cc3c(o2)cc(cc3F)N4CCC4)OC
SMILESOpenEye OEToolkits3.1.0.0CCOc1cccc(c1S(=O)(=O)NC(=O)c2cc3c(o2)cc(cc3F)N4CCC4)OC

249524

PDB entries from 2026-02-18

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