(5-ethanoyl-2-ethoxy-phenyl)methyl 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25NO7S/c1-3-29-21-8-7-17(16(2)24)13-19(21)15-30-22(25)18-5-4-6-20(14-18)31(26,27)23-9-11-28-12-10-23/h4-8,13-14H,3,9-12,15H2,1-2H3