(4-methylsulfanylphenyl)methyl 2-morpholin-4-yl-5-sulfamoyl-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-morpholin-4-yl-5-sulfamoyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-morpholino-5-sulfamoyl-benzoate CAS Name: 2-(4-morpholinyl)-5-sulfamoylbenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate Traditional Name: 2-morpholino-5-sulfamoyl-benzoic acid [4-(methylthio)benzyl] ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N3CCOCC3

InChI

InChI=1S/C19H22N2O5S2/c1-27-15-4-2-14(3-5-15)13-26-19(22)17-12-16(28(20,23)24)6-7-18(17)21-8-10-25-11-9-21/h2-7,12H,8-11,13H2,1H3,(H2,20,23,24)