| PDB CCD ID: | UVT |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H15 N O3 S |
| InChI: | InChI=1S/C12H15NO3S/c1-10-3-2-8-13(10)17(15,16)12-6-4-11(9-14)5-7-12/h4-7,9-10H,2-3,8H2,1H3/t10-/m0/s1 |
| InChIKey: | SUVLDBQTTBXTBR-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H]1CCCN1S(=O)(=O)c2ccc(cc2)C=O | | CACTVS 3.385 | C[CH]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2 | | OpenEye OEToolkits 2.0.7 | CC1CCCN1S(=O)(=O)c2ccc(cc2)C=O | | CACTVS 3.385 | C[C@H]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2 |
|
| Name: | 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde |
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