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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-morpholin-4-ylsulfonylbenzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

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

InChI

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