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CJP

Summary
Name:1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine
Formula:C16 H14 Cl2 N2 O2 S
Formal charge:0
Formula weight:369.266 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine
OpenEye OEToolkits1.7.6[2-(2,4-dichlorophenyl)-1-methylsulfonyl-indol-3-yl]methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3ccc(c2c(c1ccccc1n2S(=O)(=O)C)CN)c(Cl)c3
InChIInChI1.03InChI=1S/C16H14Cl2N2O2S/c1-23(21,22)20-15-5-3-2-4-11(15)13(9-19)16(20)12-7-6-10(17)8-14(12)18/h2-8H,9,19H2,1H3
InChIKeyInChI1.03MTMKFBZYRGNPDF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)n1c2ccccc2c(CN)c1c3ccc(Cl)cc3Cl
SMILESCACTVS3.385C[S](=O)(=O)n1c2ccccc2c(CN)c1c3ccc(Cl)cc3Cl
SMILES_CANONICALOpenEye OEToolkits1.7.6CS(=O)(=O)n1c2ccccc2c(c1c3ccc(cc3Cl)Cl)CN
SMILESOpenEye OEToolkits1.7.6CS(=O)(=O)n1c2ccccc2c(c1c3ccc(cc3Cl)Cl)CN

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PDB entries from 2024-07-31

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