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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

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