W63
Summary
| Name: | (2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide |
| Formula: | C11 H14 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 259.752 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-(3-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(NC(=O)C(C)SCCO)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H14ClNO2S/c1-8(16-6-5-14)11(15)13-10-4-2-3-9(12)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | UXGQSNBNMMTFDK-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](SCCO)C(=O)Nc1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | C[CH](SCCO)C(=O)Nc1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)Nc1cccc(c1)Cl)SCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)Nc1cccc(c1)Cl)SCCO |
