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A1BRS

Summary
Name:N-{2-[4-(methanesulfonyl)phenyl]ethyl}-1-methyl-1H-indazole-3-carboxamide
Formula:C18 H19 N3 O3 S
Formal charge:0
Formula weight:357.427 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-{2-[4-(methanesulfonyl)phenyl]ethyl}-1-methyl-1H-indazole-3-carboxamide
OpenEye OEToolkits3.1.0.01-methyl-~{N}-[2-(4-methylsulfonylphenyl)ethyl]indazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CS(=O)(=O)c1ccc(cc1)CCNC(=O)c1nn(C)c2ccccc21
InChIInChI1.06InChI=1S/C18H19N3O3S/c1-21-16-6-4-3-5-15(16)17(20-21)18(22)19-12-11-13-7-9-14(10-8-13)25(2,23)24/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyInChI1.06ZXSRGQIDSRIHFJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nc(C(=O)NCCc2ccc(cc2)[S](C)(=O)=O)c3ccccc13
SMILESCACTVS3.385Cn1nc(C(=O)NCCc2ccc(cc2)[S](C)(=O)=O)c3ccccc13
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cn1c2ccccc2c(n1)C(=O)NCCc3ccc(cc3)S(=O)(=O)C
SMILESOpenEye OEToolkits3.1.0.0Cn1c2ccccc2c(n1)C(=O)NCCc3ccc(cc3)S(=O)(=O)C

248636

PDB entries from 2026-02-04

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