PDB CCD ID: | P99 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C16 H16 F2 N2 O4 S2 |
InChI: | InChI=1S/C16H16F2N2O4S2/c17-13-8-11(9-14(18)16(13)24-10-15(19)21)25-7-6-20-26(22,23)12-4-2-1-3-5-12/h1-5,8-9,20H,6-7,10H2,(H2,19,21) |
InChIKey: | GTACSIONMHMRPD-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.370 | NC(=O)COc1c(F)cc(SCCN[S](=O)(=O)c2ccccc2)cc1F | ACDLabs 12.01 | O=S(=O)(c1ccccc1)NCCSc2cc(F)c(OCC(=O)N)c(F)c2 | OpenEye OEToolkits 1.7.0 | c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F |
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Name: | 2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide; 2-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]acetamide |
ChEMBL: | CHEMBL1097940 |
ZINC: | ZINC000002541692 |