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ZR5

Summary
Name:N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide
Formula:C21 H19 N3 O4 S2
Formal charge:0
Formula weight:441.523 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide
OpenEye OEToolkits2.0.7~{N}-(1,3-benzothiazol-2-yl)-4-[(3-methoxy-2-oxidanyl-phenyl)methylamino]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O
InChIInChI1.06InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
InChIKeyInChI1.06OWHBVKBNNRYMIN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(CNc2ccc(cc2)[S](=O)(=O)Nc3sc4ccccc4n3)c1O
SMILESCACTVS3.385COc1cccc(CNc2ccc(cc2)[S](=O)(=O)Nc3sc4ccccc4n3)c1O
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc(c1O)CNc2ccc(cc2)S(=O)(=O)Nc3nc4ccccc4s3
SMILESOpenEye OEToolkits2.0.7COc1cccc(c1O)CNc2ccc(cc2)S(=O)(=O)Nc3nc4ccccc4s3

223532

건을2024-08-07부터공개중

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