| PDB CCD ID: | 0S1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H19 N O3 S |
| InChI: | InChI=1S/C14H19NO3S/c1-3-4-11-9-13(16)14(11)15-19(17,18)12-7-5-10(2)6-8-12/h3,5-8,11,13-16H,1,4,9H2,2H3/t11-,13-,14+/m0/s1 |
| InChIKey: | KFIWUGSQQLTLIY-FPMFFAJLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | Cc1ccc(cc1)S(=O)(=O)NC2C(CC2O)CC=C | | ACDLabs 12.01 | O=S(=O)(NC1C(C\C=C)CC1O)c2ccc(cc2)C | | CACTVS 3.370 | Cc1ccc(cc1)[S](=O)(=O)N[CH]2[CH](O)C[CH]2CC=C | | CACTVS 3.370 | Cc1ccc(cc1)[S](=O)(=O)N[C@H]2[C@@H](O)C[C@@H]2CC=C | | OpenEye OEToolkits 1.7.6 | Cc1ccc(cc1)S(=O)(=O)N[C@@H]2[C@H](C[C@@H]2O)CC=C |
|
| Name: | N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form |
| ZINC: | ZINC000098207858 |
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