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R82

Summary
Name:N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide
Formula:C19 H22 N2 O5 S
Formal charge:0
Formula weight:390.453 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide
OpenEye OEToolkits1.9.2N-[2,4-dimethoxy-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cc(c(OC)cc1OC)S(=O)(=O)N3c2ccccc2CC3C)C
InChIInChI1.03InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)/t12-/m1/s1
InChIKeyInChI1.03WCESRWVTCVMYMU-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385COc1cc(OC)c(cc1NC(C)=O)[S](=O)(=O)N2[C@H](C)Cc3ccccc23
SMILESCACTVS3.385COc1cc(OC)c(cc1NC(C)=O)[S](=O)(=O)N2[CH](C)Cc3ccccc23
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@@H]1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C
SMILESOpenEye OEToolkits1.9.2CC1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C

246905

PDB entries from 2025-12-31

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