N-[(4-fluorophenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[(4-fluorophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-(4-fluorobenzyl)nicotinamide Formula: C21H19FN2O3S2 MolecularWeight: 430.515563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O3S2/c22-17-10-8-16(9-11-17)15-24-20(25)19-7-4-12-23-21(19)28-13-14-29(26,27)18-5-2-1-3-6-18/h1-12H,13-15H2,(H,24,25)