| PDB CCD ID: | 99R |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H21 N3 O3 S |
| InChI: | InChI=1S/C18H21N3O3S/c1-2-21-15-8-9-16(13-6-3-7-14(17(13)15)18(21)22)25(23,24)20-10-4-5-12(19)11-20/h3,6-9,12H,2,4-5,10-11,19H2,1H3/t12-/m0/s1 |
| InChIKey: | FVVCJWPWULZKFU-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)N | | CACTVS 3.385 | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](N)C4 | | CACTVS 3.385 | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[C@H](N)C4 | | OpenEye OEToolkits 2.0.6 | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)N |
|
| Name: | 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one |
| ChEMBL: | CHEMBL4168627 |
umich.edu