(4-cyano-2-methoxy-phenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C20H20N2O6S/c1-14-3-5-16(29(24,25)22-7-9-27-10-8-22)12-17(14)20(23)28-18-6-4-15(13-21)11-19(18)26-2/h3-6,11-12H,7-10H2,1-2H3