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A1AUT

Summary
Name:3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide
Formula:C14 H10 Cl2 N2 O3 S2
Formal charge:0
Formula weight:389.277 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide
OpenEye OEToolkits2.0.73-chloranyl-~{N}-(5-chloranyl-2-methyl-1,3-benzothiazol-6-yl)-2-oxidanyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1O)S(=O)(=O)Nc1cc2sc(C)nc2cc1Cl
InChIInChI1.06InChI=1S/C14H10Cl2N2O3S2/c1-7-17-11-5-9(16)10(6-12(11)22-7)18-23(20,21)13-4-2-3-8(15)14(13)19/h2-6,18-19H,1H3
InChIKeyInChI1.06DGNXLFRZMYASGW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1sc2cc(N[S](=O)(=O)c3cccc(Cl)c3O)c(Cl)cc2n1
SMILESCACTVS3.385Cc1sc2cc(N[S](=O)(=O)c3cccc(Cl)c3O)c(Cl)cc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1nc2cc(c(cc2s1)NS(=O)(=O)c3cccc(c3O)Cl)Cl
SMILESOpenEye OEToolkits2.0.7Cc1nc2cc(c(cc2s1)NS(=O)(=O)c3cccc(c3O)Cl)Cl

221716

PDB entries from 2024-06-26

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