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AL6

Summary
Name:2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE
Synonyms:AL6528
Formula:C13 H12 N2 O5 S3
Formal charge:0
Formula weight:372.44 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(3-methoxyphenyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
OpenEye OEToolkits1.5.02-(3-methoxyphenyl)-1,1-dioxo-thieno[4,5-e][1,2]thiazine-6-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1sc3c(c1)C=CN(c2cccc(OC)c2)S3(=O)=O)N
SMILES_CANONICALCACTVS3.341COc1cccc(c1)N2C=Cc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O
SMILESCACTVS3.341COc1cccc(c1)N2C=Cc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N
InChIInChI1.03InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17)
InChIKeyInChI1.03FBBLOSCXOZYUSS-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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