(3-morpholin-4-ylsulfonylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H23NO7S2 MolecularWeight: 453.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H23NO7S2/c1-15-6-7-17(29(2,23)24)13-19(15)20(22)28-14-16-4-3-5-18(12-16)30(25,26)21-8-10-27-11-9-21/h3-7,12-13H,8-11,14H2,1-2H3