(3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H23NO5S2/c1-16-5-2-3-8-19(16)27-15-20(22)26-14-17-6-4-7-18(13-17)28(23,24)21-9-11-25-12-10-21/h2-8,13H,9-12,14-15H2,1H3