(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylsulfanylbenzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-methylsulfanylbenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H21NO5S2/c1-26-17-7-5-16(6-8-17)19(21)25-14-15-3-2-4-18(13-15)27(22,23)20-9-11-24-12-10-20/h2-8,13H,9-12,14H2,1H3