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20Z

Summary
Name:4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:C20 H16 N4 O3 S2
Formal charge:0
Formula weight:424.496 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c4ccc(Nc1nc(c(s1)C(=O)c3cc2ccccc2cc3)N)cc4
SMILES_CANONICALCACTVS3.370Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccc4ccccc4c3
SMILESCACTVS3.370Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccc4ccccc4c3
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N
SMILESOpenEye OEToolkits1.7.2c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N
InChIInChI1.03InChI=1S/C20H16N4O3S2/c21-19-18(17(25)14-6-5-12-3-1-2-4-13(12)11-14)28-20(24-19)23-15-7-9-16(10-8-15)29(22,26)27/h1-11H,21H2,(H,23,24)(H2,22,26,27)
InChIKeyInChI1.03SUFGPCLKXWRBHX-UHFFFAOYSA-N

220472

PDB entries from 2024-05-29

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