N73
(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide
Created: | 2014-12-19 |
Last modified: | 2019-05-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 52 |
Chiral Atom Count | 1 |
Bond Count | 53 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide |
Systematic Name (OpenEye OEToolkits) | (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide |
Formula | C20 H24 N2 O5 S |
Molecular Weight | 404.48 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)ON([CH](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2 |
Canonical SMILES | CACTVS | 3.385 | CC(C)ON([C@H](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C20H24N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19H,1-4H3/t19-/m1/s1 |
InChIKey | InChI | 1.03 | JYURKDGMICGTJM-LJQANCHMSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 138753324 |