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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[3-(methylsulfonylamino)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[[3-(methanesulfonamido)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[3-(methanesulfonamido)benzyl]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)NCC3=CC(=CC=C3)NS(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S2/c1-15-9-10-19(12-16(15)2)29-22-20(8-5-11-23-22)21(26)24-14-17-6-4-7-18(13-17)25-30(3,27)28/h4-13,25H,14H2,1-3H3,(H,24,26)