0SL
Summary
| Name: | (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid |
| Formula: | C16 H17 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 319.375 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c2cc1ccccc1cc2)N3CCCC(C(=O)O)C3 |
| InChI | InChI | 1.03 | InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | KTQWWYGLWQVHDM-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H]1CCCN(C1)[S](=O)(=O)c2ccc3ccccc3c2 |
| SMILES | CACTVS | 3.370 | OC(=O)[CH]1CCCN(C1)[S](=O)(=O)c2ccc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2cc(ccc2c1)S(=O)(=O)N3CCCC(C3)C(=O)O |
