| PDB CCD ID: | 99X |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H20 N2 O4 S |
| InChI: | InChI=1S/C18H20N2O4S/c1-2-19-15-8-9-16(13-6-3-7-14(17(13)15)18(19)22)25(23,24)20-10-4-5-12(20)11-21/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1 |
| InChIKey: | LBIMQKNDHURLPV-GFCCVEGCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4CO | | CACTVS 3.385 | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH]4CO | | CACTVS 3.385 | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[C@@H]4CO | | OpenEye OEToolkits 2.0.6 | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H]4CO |
|
| Name: | 1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one |
| ChEMBL: | CHEMBL4168104 |
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