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

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [4-(methylthio)benzyl] ester Formula: C20H23NO6S2 MolecularWeight: 437.52972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H23NO6S2/c1-25-18-8-5-16(13-19(18)29(23,24)21-9-11-26-12-10-21)20(22)27-14-15-3-6-17(28-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3