| PDB CCD ID: | 57E |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H21 N3 O4 S |
| InChI: | InChI=1S/C19H21N3O4S/c1-5-15-17(12(3)23)11(2)21-18(15)19(24)22-9-8-13-6-7-14(10-16(13)22)27(25,26)20-4/h6-10,20-21H,5H2,1-4H3 |
| InChIKey: | FRIHRFHOIOFYKK-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C | | CACTVS 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)n2ccc3ccc(cc23)[S](=O)(=O)NC | | ACDLabs 12.01 | CCc1c(c(nc1C(=O)n3c2cc(S(NC)(=O)=O)ccc2cc3)C)C(=O)C |
|
| Name: | 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide |
| ZINC: | ZINC000263620435 |
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