| PDB CCD ID: | 5C3 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C14 H20 N2 O3 S |
| InChI: | InChI=1S/C14H20N2O3S/c15-10-11-6-8-12(9-7-11)14(17)16-20(18,19)13-4-2-1-3-5-13/h1-5,11-12H,6-10,15H2,(H,16,17)/t11-,12- |
| InChIKey: | BCEUUNKKXUMFST-HAQNSBGRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN | | CACTVS 3.385 | NC[C@H]1CC[C@@H](CC1)C(=O)N[S](=O)(=O)c2ccccc2 | | ACDLabs 12.01 | O=S(=O)(c1ccccc1)NC(=O)C2CCC(CN)CC2 | | CACTVS 3.385 | NC[CH]1CC[CH](CC1)C(=O)N[S](=O)(=O)c2ccccc2 |
|
| Name: | 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide |
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