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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]nicotinamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C22H23N3O3S2/c1-15-5-8-18(14-16(15)2)29-22-20(4-3-12-25-22)21(26)24-13-11-17-6-9-19(10-7-17)30(23,27)28/h3-10,12,14H,11,13H2,1-2H3,(H,24,26)(H2,23,27,28)