| PDB CCD ID: | 64D |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H17 Cl N2 O4 S |
| InChI: | InChI=1S/C13H17ClN2O4S/c14-11-1-3-12(4-2-11)21(19,20)15-9-10-5-7-16(8-6-10)13(17)18/h1-4,10,15H,5-9H2,(H,17,18) |
| InChIKey: | CFNWARLITZSZQR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)N1CCC(CC1)CN[S](=O)(=O)c2ccc(Cl)cc2 | | ACDLabs 12.01 | Clc1ccc(cc1)S(=O)(=O)NCC2CCN(C(=O)O)CC2 | | OpenEye OEToolkits 1.7.6 | c1cc(ccc1S(=O)(=O)NCC2CCN(CC2)C(=O)O)Cl |
|
| Name: | 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid |
| ZINC: | ZINC000222803114 |
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