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26Z

Summary
Name:4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:C16 H15 N5 O3 S2
Formal charge:0
Formula weight:389.452 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccc(N)c2)N)cc3
SMILES_CANONICALCACTVS3.370Nc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N
SMILESCACTVS3.370Nc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N
SMILES_CANONICALOpenEye OEToolkits1.7.2c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
SMILESOpenEye OEToolkits1.7.2c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
InChIInChI1.03InChI=1S/C16H15N5O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,17-18H2,(H,20,21)(H2,19,23,24)
InChIKeyInChI1.03XNRIWHPUEZHUFJ-UHFFFAOYSA-N

219515

PDB entries from 2024-05-08

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