RNW
2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide
Created: | 2020-10-13 |
Last modified: | 2020-12-02 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 1 |
Bond Count | 36 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide |
Systematic Name (OpenEye OEToolkits) | 2-(diphenylmethyl)sulfinyl-~{N}-oxidanyl-ethanamide |
Formula | C15 H15 N O3 S |
Molecular Weight | 289.35 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | ONC(=O)C[S](=O)C(c1ccccc1)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO |
Canonical SMILES | CACTVS | 3.385 | ONC(=O)C[S@@](=O)C(c1ccccc1)c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | CGNMLOKEMNBUAI-HXUWFJFHSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 25271624 |