PDB CCD ID: | A1H17 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C16 H15 Cl2 N3 O4 S |
InChI: | InChI=1S/C16H15Cl2N3O4S/c1-8-6-12(25-15(8)16(22)21(2)3)26(23,24)20-11-5-4-9(17)13-10(18)7-19-14(11)13/h4-7,19-20H,1-3H3 |
InChIKey: | XQZSOWNOTOQJFP-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | CN(C)C(=O)c1oc(cc1C)[S](=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23 | OpenEye OEToolkits 2.0.7 | Cc1cc(oc1C(=O)N(C)C)S(=O)(=O)Nc2ccc(c3c2[nH]cc3Cl)Cl |
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Name: | 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide; ethane |