2-(3,4-dimethylphenyl)sulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C21H21N3O3S2/c1-14-5-8-17(12-15(14)2)28-21-19(4-3-11-23-21)20(25)24-13-16-6-9-18(10-7-16)29(22,26)27/h3-12H,13H2,1-2H3,(H,24,25)(H2,22,26,27)