A1BZB
3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide
| Created: | 2025-03-06 |
| Last modified: | 2025-04-23 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 42 |
| Chiral Atom Count | 0 |
| Bond Count | 44 |
| Aromatic Bond Count | 17 |
Chemical Component Summary | |
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| Name | 3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide |
| Systematic Name (OpenEye OEToolkits) | 3-chloranyl-~{N}-[3-(1,3-oxazol-5-yl)phenyl]-~{N}-propan-2-yl-benzenesulfonamide |
| Formula | C18 H17 Cl N2 O3 S |
| Molecular Weight | 376.857 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cccc(c1)S(=O)(=O)N(c1cccc(c1)c1cnco1)C(C)C |
| SMILES | CACTVS | 3.385 | CC(C)N(c1cccc(c1)c2ocnc2)[S](=O)(=O)c3cccc(Cl)c3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)N(c1cccc(c1)c2cnco2)S(=O)(=O)c3cccc(c3)Cl |
| Canonical SMILES | CACTVS | 3.385 | CC(C)N(c1cccc(c1)c2ocnc2)[S](=O)(=O)c3cccc(Cl)c3 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)N(c1cccc(c1)c2cnco2)S(=O)(=O)c3cccc(c3)Cl |
| InChI | InChI | 1.06 | InChI=1S/C18H17ClN2O3S/c1-13(2)21(25(22,23)17-8-4-6-15(19)10-17)16-7-3-5-14(9-16)18-11-20-12-24-18/h3-13H,1-2H3 |
| InChIKey | InChI | 1.06 | SFSATMOQALTAMV-UHFFFAOYSA-N |
