(3-morpholin-4-ylsulfonylphenyl)methyl 4-(methylsulfanylmethyl)benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-(methylsulfanylmethyl)benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-(methylsulfanylmethyl)benzoate CAS Name: 4-[(methylthio)methyl]benzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-(methylsulfanylmethyl)benzoate Traditional Name: 4-[(methylthio)methyl]benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

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