N-(2,4-dimethylphenyl)sulfonyl-N-(2-oxidanylidene-1,3-benzoxathiol-5-yl)pyridine-3-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)sulfonyl-N-(2-oxidanylidene-1,3-benzoxathiol-5-yl)pyridine-3-carboxamide Openeye Name: N-(2,4-dimethylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)pyridine-3-carboxamide CAS Name: N-(2,4-dimethylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)-3-pyridinecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)pyridine-3-carboxamide Traditional Name: N-(2,4-dimethylphenyl)sulfonyl-N-(2-keto-1,3-benzoxathiol-5-yl)nicotinamide Formula: C21H16N2O5S2 MolecularWeight: 440.49214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=O)S3)C(=O)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=O)S3)C(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C21H16N2O5S2/c1-13-5-8-19(14(2)10-13)30(26,27)23(20(24)15-4-3-9-22-12-15)16-6-7-17-18(11-16)29-21(25)28-17/h3-12H,1-2H3