HZT
~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
Created: | 2019-01-08 |
Last modified: | 2019-05-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 36 |
Chiral Atom Count | 0 |
Bond Count | 38 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | ~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide |
Formula | C14 H13 F N4 O2 S2 |
Molecular Weight | 352.407 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Fc1ccc(CN(Cc2[nH]ncn2)[S](=O)(=O)c3sccc3)cc1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3 |
Canonical SMILES | CACTVS | 3.385 | Fc1ccc(CN(Cc2[nH]ncn2)[S](=O)(=O)c3sccc3)cc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3 |
InChI | InChI | 1.03 | InChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18) |
InChIKey | InChI | 1.03 | UGVZRLMKBSBNEC-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 46209555 |