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A1ATR

Summary
Name:N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide
Formula:C26 H18 N2 O4 S2
Formal charge:0
Formula weight:486.562 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide
OpenEye OEToolkits2.0.7~{N}-[(5~{Z})-4-oxidanylidene-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazol-2-yl]naphthalene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1N=C(NS(=O)(=O)c2cc3ccccc3cc2)S\C1=C/c1ccccc1Oc1ccccc1
InChIInChI1.06InChI=1S/C26H18N2O4S2/c29-25-24(17-20-10-6-7-13-23(20)32-21-11-2-1-3-12-21)33-26(27-25)28-34(30,31)22-15-14-18-8-4-5-9-19(18)16-22/h1-17H,(H,27,28,29)/b24-17-
InChIKeyInChI1.06UIPSKQQKIPOXRV-ULJHMMPZSA-N
SMILES_CANONICALCACTVS3.385O=C/1N=C(N[S](=O)(=O)c2ccc3ccccc3c2)SC/1=C/c4ccccc4Oc5ccccc5
SMILESCACTVS3.385O=C1N=C(N[S](=O)(=O)c2ccc3ccccc3c2)SC1=Cc4ccccc4Oc5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2ccccc2/C=C\3/C(=O)N=C(S3)NS(=O)(=O)c4ccc5ccccc5c4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2ccccc2C=C3C(=O)N=C(S3)NS(=O)(=O)c4ccc5ccccc5c4

223790

PDB entries from 2024-08-14

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