PZV
1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
Created: | 2019-08-30 |
Last modified: | 2020-09-02 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 38 |
Chiral Atom Count | 0 |
Bond Count | 40 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide |
Systematic Name (OpenEye OEToolkits) | 1-(2-fluorophenyl)carbonyl-~{N}-methyl-2,3-dihydroindole-5-sulfonamide |
Formula | C16 H15 F N2 O3 S |
Molecular Weight | 334.365 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2cc(S(NC)(=O)=O)cc3CCN(C(c1ccccc1F)=O)c23 |
SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3ccccc3F |
SMILES | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F |
Canonical SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3ccccc3F |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F |
InChI | InChI | 1.03 | InChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3 |
InChIKey | InChI | 1.03 | MLAUXXOCJYXBIG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 51098268 |