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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[(2-chlorophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-(2-chlorobenzyl)nicotinamide Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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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=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H19ClN2O3S2/c22-19-11-5-4-7-16(19)15-24-20(25)18-10-6-12-23-21(18)28-13-14-29(26,27)17-8-2-1-3-9-17/h1-12H,13-15H2,(H,24,25)