N-[(2-fluorophenyl)methyl]-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-2-[2-(p-tolylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-2-[2-(4-methylphenyl)sulfonylethylthio]-3-pyridinecarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(2-fluorobenzyl)-2-(2-tosylethylthio)nicotinamide Formula: C22H21FN2O3S2 MolecularWeight: 444.542143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C22H21FN2O3S2/c1-16-8-10-18(11-9-16)30(27,28)14-13-29-22-19(6-4-12-24-22)21(26)25-15-17-5-2-3-7-20(17)23/h2-12H,13-15H2,1H3,(H,25,26)