PDB CCD ID: | A1AU5 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C16 H15 Cl N2 O4 S |
InChI: | InChI=1S/C16H15ClN2O4S/c1-10(20)19-9-8-11-13(5-3-6-14(11)19)18-24(22,23)15-7-2-4-12(17)16(15)21/h2-7,18,21H,8-9H2,1H3 |
InChIKey: | OIXKKLRRYRMQMK-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | Clc1cccc(c1O)S(=O)(=O)Nc1cccc2c1CCN2C(C)=O | CACTVS 3.385 | CC(=O)N1CCc2c(N[S](=O)(=O)c3cccc(Cl)c3O)cccc12 | OpenEye OEToolkits 2.0.7 | CC(=O)N1CCc2c1cccc2NS(=O)(=O)c3cccc(c3O)Cl |
|
Name: | N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide |