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1CS

Summary
Name:1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA
Formula:C12 H12 Cl N5 O4 S
Formal charge:0
Formula weight:357.773 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide
OpenEye OEToolkits1.5.03-(2-chlorophenyl)sulfonyl-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C
SMILES_CANONICALCACTVS3.341COc1nc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2Cl)n1
SMILESCACTVS3.341COc1nc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2Cl)n1
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl
SMILESOpenEye OEToolkits1.5.0Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl
InChIInChI1.03InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)
InChIKeyInChI1.03VJYIFXVZLXQVHO-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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