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

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[(3,4-dichlorophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3,4-dichlorophenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-(3,4-dichlorobenzyl)nicotinamide Formula: C21H18Cl2N2O3S2 MolecularWeight: 481.41522

Click to see the large picture

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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O3S2/c22-18-9-8-15(13-19(18)23)14-25-20(26)17-7-4-10-24-21(17)29-11-12-30(27,28)16-5-2-1-3-6-16/h1-10,13H,11-12,14H2,(H,25,26)