(2,4-dichlorophenyl) 2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (2,4-dichlorophenyl) 2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxylate Openeye Name: (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)ethylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-3-pyridinecarboxylic acid (2,4-dichlorophenyl) ester IUPAC Name: (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)ethylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-(2-besylethylthio)nicotinic acid (2,4-dichlorophenyl) ester Formula: C20H15Cl2NO4S2 MolecularWeight: 468.3734

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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)OC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H15Cl2NO4S2/c21-14-8-9-18(17(22)13-14)27-20(24)16-7-4-10-23-19(16)28-11-12-29(25,26)15-5-2-1-3-6-15/h1-10,13H,11-12H2