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J6V

Summary
Name:3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide
Formula:C14 H13 F N4 O6 S
Formal charge:0
Formula weight:384.34 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide
OpenEye OEToolkits2.0.61-(4-fluoranyl-3-methyl-phenyl)-3-(3-nitro-2-oxidanyl-5-sulfamoyl-phenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(F)c(cc1NC(Nc2c(c(cc(c2)S(N)(=O)=O)N(=O)=O)O)=O)C
InChIInChI1.03InChI=1S/C14H13FN4O6S/c1-7-4-8(2-3-10(7)15)17-14(21)18-11-5-9(26(16,24)25)6-12(13(11)20)19(22)23/h2-6,20H,1H3,(H2,16,24,25)(H2,17,18,21)
InChIKeyInChI1.03NCXBXYIRLDJNEP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(NC(=O)Nc2cc(cc(c2O)[N](=O)=O)[S](N)(=O)=O)ccc1F
SMILESCACTVS3.385Cc1cc(NC(=O)Nc2cc(cc(c2O)[N](=O)=O)[S](N)(=O)=O)ccc1F
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.6Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N

223532

數據於2024-08-07公開中

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