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

Systemtic Name: (4-propanoylphenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-propanoylphenyl) 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid (4-propionylphenyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H23NO6S/c1-3-20(23)16-5-7-17(8-6-16)28-21(24)19-14-18(9-4-15(19)2)29(25,26)22-10-12-27-13-11-22/h4-9,14H,3,10-13H2,1-2H3