(4-methylsulfanylphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [4-(methylthio)benzyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H23NO5S2/c1-15-3-6-17(13-19(15)28(23,24)21-9-11-25-12-10-21)20(22)26-14-16-4-7-18(27-2)8-5-16/h3-8,13H,9-12,14H2,1-2H3