TZV
N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
Created: | 2020-04-03 |
Last modified: | 2020-09-09 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 39 |
Chiral Atom Count | 0 |
Bond Count | 41 |
Aromatic Bond Count | 17 |
Chemical Component Summary | |
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Name | N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide |
Systematic Name (OpenEye OEToolkits) | 7-methoxy-4-[4-(sulfamoylamino)phenoxy]quinoline |
Formula | C16 H15 N3 O4 S |
Molecular Weight | 345.373 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(NS(=O)(=O)N)ccc1Oc3c2ccc(OC)cc2ncc3 |
SMILES | CACTVS | 3.385 | COc1ccc2c(Oc3ccc(N[S](N)(=O)=O)cc3)ccnc2c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N |
Canonical SMILES | CACTVS | 3.385 | COc1ccc2c(Oc3ccc(N[S](N)(=O)=O)cc3)ccnc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C16H15N3O4S/c1-22-13-6-7-14-15(10-13)18-9-8-16(14)23-12-4-2-11(3-5-12)19-24(17,20)21/h2-10,19H,1H3,(H2,17,20,21) |
InChIKey | InChI | 1.03 | YDPVHBWULHMYJX-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137527885 |