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A1J82

Summary
Name:1-methyl-~{N}-[3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]-2-oxidanylidene-3~{H}-indole-5-sulfonamide
Formula:C23 H20 N4 O4 S
Formal charge:0
Formula weight:448.494 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-methyl-~{N}-[3-methyl-4-(6-methyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]-2-oxidanylidene-3~{H}-indole-5-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H20N4O4S/c1-13-8-16(4-6-18(13)23-25-19-9-14(2)24-12-21(19)31-23)26-32(29,30)17-5-7-20-15(10-17)11-22(28)27(20)3/h4-10,12,26H,11H2,1-3H3
InChIKeyInChI1.06XYRRKDKUYJRFDW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)Cc2cc(ccc12)[S](=O)(=O)Nc3ccc(c(C)c3)c4oc5cnc(C)cc5n4
SMILESCACTVS3.385CN1C(=O)Cc2cc(ccc12)[S](=O)(=O)Nc3ccc(c(C)c3)c4oc5cnc(C)cc5n4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(ccc1c2nc3cc(ncc3o2)C)NS(=O)(=O)c4ccc5c(c4)CC(=O)N5C
SMILESOpenEye OEToolkits2.0.7Cc1cc(ccc1c2nc3cc(ncc3o2)C)NS(=O)(=O)c4ccc5c(c4)CC(=O)N5C

259693

PDB entries from 2026-09-16

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