5-[(2,5-dimethylphenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

Systemtic Name: 5-[(2,5-dimethylphenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide Openeye Name: 5-[(2,5-dimethylphenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide CAS Name: 5-[(2,5-dimethylphenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-furancarboxamide IUPAC Name: 5-[(2,5-dimethylphenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide Traditional Name: 5-[(2,5-dimethylphenoxy)methyl]-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-furamide Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=CC=C(O2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=CC=C(O2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H20N2O5S2/c1-13-4-5-14(2)19(10-13)28-12-15-6-9-18(29-15)21(25)24-22-23-17-8-7-16(31(3,26)27)11-20(17)30-22/h4-11H,12H2,1-3H3,(H,23,24,25)