(3,5-dimethylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoate Openeye Name: (3,5-dimethylphenyl)methyl 2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetate CAS Name: 2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate Traditional Name: 2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetic acid (3,5-dimethylbenzyl) ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C22H27NO6S/c1-16-10-17(2)12-19(11-16)15-29-22(24)14-18-4-5-20(27-3)21(13-18)30(25,26)23-6-8-28-9-7-23/h4-5,10-13H,6-9,14-15H2,1-3H3