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Summary
Name:N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
Formula:C21 H17 N3 O3 S
Formal charge:0
Formula weight:391.443 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(phenylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
OpenEye OEToolkits1.7.6N-[[4-(phenylsulfonyl)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccccc1)c2ccc(cc2)CNC(=O)c4cc3c(ccnc3)n4
InChIInChI1.03InChI=1S/C21H17N3O3S/c25-21(20-12-16-14-22-11-10-19(16)24-20)23-13-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h1-12,14,24H,13H2,(H,23,25)
InChIKeyInChI1.03LGQSNALVWIMFPP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(NCc1ccc(cc1)[S](=O)(=O)c2ccccc2)c3[nH]c4ccncc4c3
SMILESCACTVS3.385O=C(NCc1ccc(cc1)[S](=O)(=O)c2ccccc2)c3[nH]c4ccncc4c3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3

227111

PDB entries from 2024-11-06

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