2-(4-chlorophenyl)sulfanylethyl 2-methylsulfonylbenzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-methylsulfonylbenzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C16H15ClO4S2 MolecularWeight: 370.8709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClO4S2/c1-23(19,20)15-5-3-2-4-14(15)16(18)21-10-11-22-13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3