| PDB CCD ID: | A1IBD |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H16 N2 O2 S |
| InChI: | InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1 |
| InChIKey: | IDMMCFWFSJXQMU-VIFPVBQESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1 | | CACTVS 3.385 | C[C@H](N)CN[S](=O)(=O)c1ccc(C)cc1 | | OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1)S(=O)(=O)NC[C@H](C)N | | OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1)S(=O)(=O)NCC(C)N |
|
| Name: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide |
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