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99Z

Summary
Name:4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:C17 H16 N4 O3 S2
Formal charge:0
Formula weight:388.464 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
OpenEye OEToolkits1.7.24-[[4-azanyl-5-(2-methylphenyl)carbonyl-1,3-thiazol-2-yl]amino]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2ccccc2C)N)cc3
InChIInChI1.03InChI=1S/C17H16N4O3S2/c1-10-4-2-3-5-13(10)14(22)15-16(18)21-17(25-15)20-11-6-8-12(9-7-11)26(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyInChI1.03MVVLOKWZBCMJJG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1ccccc1C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N
SMILESCACTVS3.370Cc1ccccc1C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N
SMILES_CANONICALOpenEye OEToolkits1.7.2Cc1ccccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
SMILESOpenEye OEToolkits1.7.2Cc1ccccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N

218853

PDB entries from 2024-04-24

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