(4-methylsulfanylphenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-methylsulfanylphenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-methylsulfanylphenyl) 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [4-(methylthio)phenyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H21NO5S2/c1-14-3-8-17(27(22,23)20-9-11-24-12-10-20)13-18(14)19(21)25-15-4-6-16(26-2)7-5-15/h3-8,13H,9-12H2,1-2H3