N-[(3,5-dimethylphenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[(3,5-dimethylphenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3,5-dimethylphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[(3,5-dimethylphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3,5-dimethylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-(3,5-dimethylbenzyl)nicotinamide Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H24N2O3S2/c1-17-13-18(2)15-19(14-17)16-25-22(26)21-9-6-10-24-23(21)29-11-12-30(27,28)20-7-4-3-5-8-20/h3-10,13-15H,11-12,16H2,1-2H3,(H,25,26)