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771

Summary
Name:4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE
Formula:C23 H26 N4 O4 S
Formal charge:0
Formula weight:454.542 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-({4-(benzyloxy)-5-methoxy-2-[(methylsulfonyl)amino]benzyl}amino)benzenecarboximidamide
OpenEye OEToolkits1.5.04-[[5-methoxy-2-(methylsulfonylamino)-4-phenylmethoxy-phenyl]methylamino]benzenecarboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(Nc2cc(OCc1ccccc1)c(OC)cc2CNc3ccc(C(=[N@H])N)cc3)C
SMILES_CANONICALCACTVS3.341COc1cc(CNc2ccc(cc2)C(N)=N)c(N[S](C)(=O)=O)cc1OCc3ccccc3
SMILESCACTVS3.341COc1cc(CNc2ccc(cc2)C(N)=N)c(N[S](C)(=O)=O)cc1OCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(c(cc1OCc2ccccc2)NS(=O)(=O)C)CNc3ccc(cc3)C(=N)N
SMILESOpenEye OEToolkits1.5.0COc1cc(c(cc1OCc2ccccc2)NS(=O)(=O)C)CNc3ccc(cc3)C(=N)N
InChIInChI1.03InChI=1S/C23H26N4O4S/c1-30-21-12-18(14-26-19-10-8-17(9-11-19)23(24)25)20(27-32(2,28)29)13-22(21)31-15-16-6-4-3-5-7-16/h3-13,26-27H,14-15H2,1-2H3,(H3,24,25)
InChIKeyInChI1.03CRFICMUDNBIMKL-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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