| PDB CCD ID: | 7CN |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H13 Br N2 O3 S |
| InChI: | InChI=1S/C16H13BrN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-7,9-11,18H,8H2 |
| InChIKey: | DJIRSBLLCJUATA-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C3C(N(c2cccc(NS(=O)(=O)c1cccc(Br)c1)c2)C=C3)=O | | CACTVS 3.385 | Brc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3C=CCC3=O | | OpenEye OEToolkits 2.0.6 | c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br |
|
| Name: | 3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide |
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