VW4
Summary
| Name: | (2S)-2-phenylpropane-1-sulfonamide |
| Formula: | C9 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 199.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-phenylpropane-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-phenylpropane-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NS(CC(c1ccccc1)C)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | HXLOQIXEAPZOSG-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C[S](N)(=O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | C[CH](C[S](N)(=O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CS(=O)(=O)N)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CS(=O)(=O)N)c1ccccc1 |
