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A1IDL

Summary
Name:5,7,8-tris(fluoranyl)-1,1-bis(oxidanylidene)-4-(phenylmethyl)-2,3-dihydro-1$l^{6},4-benzothiazine-6-sulfonamide
Formula:C15 H13 F3 N2 O4 S2
Formal charge:0
Formula weight:406.4 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75,7,8-tris(fluoranyl)-1,1-bis(oxidanylidene)-4-(phenylmethyl)-2,3-dihydro-1$l^{6},4-benzothiazine-6-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H13F3N2O4S2/c16-10-11(17)15-13(12(18)14(10)26(19,23)24)20(6-7-25(15,21)22)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,19,23,24)
InChIKeyInChI1.06JRBPZWOABQWAHK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1c(F)c(F)c2c(N(CC[S]2(=O)=O)Cc3ccccc3)c1F
SMILESCACTVS3.385N[S](=O)(=O)c1c(F)c(F)c2c(N(CC[S]2(=O)=O)Cc3ccccc3)c1F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CN2CCS(=O)(=O)c3c2c(c(c(c3F)F)S(=O)(=O)N)F
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CN2CCS(=O)(=O)c3c2c(c(c(c3F)F)S(=O)(=O)N)F

250359

PDB entries from 2026-03-11

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