2-(2,4-dimethylphenyl)sulfanyl-N-(4-methyl-3-sulfamoyl-phenyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-N-(4-methyl-3-sulfamoyl-phenyl)pyridine-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)sulfanyl-N-(4-methyl-3-sulfamoyl-phenyl)pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethylphenyl)thio]-N-(4-methyl-3-sulfamoylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2,4-dimethylphenyl)thio]-N-(4-methyl-3-sulfamoyl-phenyl)nicotinamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N)C

InChI

InChI=1S/C21H21N3O3S2/c1-13-6-9-18(15(3)11-13)28-21-17(5-4-10-23-21)20(25)24-16-8-7-14(2)19(12-16)29(22,26)27/h4-12H,1-3H3,(H,24,25)(H2,22,26,27)