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3F1

Summary
Name:N-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide
Synonyms:N-{[4-(benzyloxy)phenyl](methyl)-lambda}-4-methylbenzenesulfonamide
Formula:C21 H21 N O3 S2
Formal charge:0
Formula weight:399.526 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.14-methyl-N-[(R)-methyl-(4-phenylmethoxyphenyl)-$l^{4}-sulfanylidene]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352Cc1ccc(cc1)[S](=O)(=O)N=[S@](C)c2ccc(OCc3ccccc3)cc2
SMILESCACTVS3.352Cc1ccc(cc1)[S](=O)(=O)N=[S](C)c2ccc(OCc3ccccc3)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccc(cc1)S(=O)(=O)N=[S@](C)c2ccc(cc2)OCc3ccccc3
SMILESOpenEye OEToolkits1.7.0Cc1ccc(cc1)S(=O)(=O)N=S(C)c2ccc(cc2)OCc3ccccc3
InChIInChI1.03InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/t26-/m1/s1
InChIKeyInChI1.03IMUPOWQOXOCVBN-AREMUKBSSA-N

223532

PDB entries from 2024-08-07

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