| PDB CCD ID: | EI8 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C23 H16 F N3 O5 S2 |
| InChI: | InChI=1S/C23H16FN3O5S2/c24-33(29,30)20-2-1-3-21(13-20)34(31,32)27(15-17-6-4-16(14-25)5-7-17)19-9-8-18-10-11-26-23(28)22(18)12-19/h1-13H,15H2,(H,26,28) |
| InChIKey: | VDEDGNULGMBOAN-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C(#N)c1ccc(cc1)CN(c2cc3c(cc2)C=CNC3=O)S(c4cc(S(=O)(=O)F)ccc4)(=O)=O | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4c(c3)C(=O)NC=C4 | | CACTVS 3.385 | F[S](=O)(=O)c1cccc(c1)[S](=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4C=CNC(=O)c4c3 |
|
| Name: | 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride |
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