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A1LVA

Summary
Name:N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide
Formula:C17 H19 Cl N2 O5 S2
Formal charge:0
Formula weight:430.926 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H19ClN2O5S2/c1-12-4-7-16(25-2)17(10-12)27(23,24)19-13-5-6-14(18)15(11-13)20-8-3-9-26(20,21)22/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyInChI1.06PNCFQLGARJZZFI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(C)cc1[S](=O)(=O)Nc2ccc(Cl)c(c2)N3CCC[S]3(=O)=O
SMILESCACTVS3.385COc1ccc(C)cc1[S](=O)(=O)Nc2ccc(Cl)c(c2)N3CCC[S]3(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(c(c1)S(=O)(=O)Nc2ccc(c(c2)N3CCCS3(=O)=O)Cl)OC
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c(c1)S(=O)(=O)Nc2ccc(c(c2)N3CCCS3(=O)=O)Cl)OC

248636

PDB entries from 2026-02-04

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