R1S
N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide
Created: | 2014-11-06 |
Last modified: | 2014-12-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 0 |
Bond Count | 35 |
Aromatic Bond Count | 20 |
Chemical Component Summary | |
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Name | N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide |
Systematic Name (OpenEye OEToolkits) | N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide |
Formula | C15 H9 Cl N2 O2 S3 |
Molecular Weight | 380.892 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1c2ccccc2sc1)Nc3nc4ccc(Cl)cc4s3 |
SMILES | CACTVS | 3.385 | Clc1ccc2nc(N[S](=O)(=O)c3csc4ccccc34)sc2c1 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl |
Canonical SMILES | CACTVS | 3.385 | Clc1ccc2nc(N[S](=O)(=O)c3csc4ccccc34)sc2c1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H9ClN2O2S3/c16-9-5-6-11-13(7-9)22-15(17-11)18-23(19,20)14-8-21-12-4-2-1-3-10(12)14/h1-8H,(H,17,18) |
InChIKey | InChI | 1.03 | VLGMTYRMKMVUHJ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 86290241 |