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Summary
Name:2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
Formula:C18 H16 N2 O6 S
Formal charge:0
Formula weight:388.394 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
OpenEye OEToolkits2.0.72-(2-oxidanylidenechromen-7-yl)oxy-~{N}-[(4-sulfamoylphenyl)methyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NS(=O)(=O)c1ccc(cc1)CNC(=O)COc1ccc2C=CC(=O)Oc2c1
InChIInChI1.06InChI=1S/C18H16N2O6S/c19-27(23,24)15-6-1-12(2-7-15)10-20-17(21)11-25-14-5-3-13-4-8-18(22)26-16(13)9-14/h1-9H,10-11H2,(H,20,21)(H2,19,23,24)
InChIKeyInChI1.06HEUYOCWZUGZHBD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(CNC(=O)COc2ccc3C=CC(=O)Oc3c2)cc1
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(CNC(=O)COc2ccc3C=CC(=O)Oc3c2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1CNC(=O)COc2ccc3c(c2)OC(=O)C=C3)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CNC(=O)COc2ccc3c(c2)OC(=O)C=C3)S(=O)(=O)N

227344

PDB entries from 2024-11-13

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