UVT
Summary
| Name: | 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde |
| Formula: | C12 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 253.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | SUVLDBQTTBXTBR-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES | CACTVS | 3.385 | C[CH]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCN1S(=O)(=O)c2ccc(cc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCN1S(=O)(=O)c2ccc(cc2)C=O |
