(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(4-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(4-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-[(4-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-chlorophenyl)methylthio]acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(4-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-chlorobenzyl)thio]acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H22ClNO5S2 MolecularWeight: 455.97538

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO5S2/c21-18-6-4-16(5-7-18)14-28-15-20(23)27-13-17-2-1-3-19(12-17)29(24,25)22-8-10-26-11-9-22/h1-7,12H,8-11,13-15H2