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IQE

Summary
Name:1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide
Formula:C15 H14 N2 O5 S2
Formal charge:0
Formula weight:366.412 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H14N2O5S2/c16-23(19,20)12-6-7-13-14(10-12)24(21,22)17(15(13)18)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,19,20)
InChIKeyInChI1.06BRQQBTOXYBYHAN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc2C(=O)N(CCc3ccccc3)[S](=O)(=O)c2c1
SMILESCACTVS3.385N[S](=O)(=O)c1ccc2C(=O)N(CCc3ccccc3)[S](=O)(=O)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CCN2C(=O)c3ccc(cc3S2(=O)=O)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CCN2C(=O)c3ccc(cc3S2(=O)=O)S(=O)(=O)N

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PDB entries from 2024-07-10

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