(3-morpholin-4-ylsulfonylphenyl)methyl 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6S/c1-17(2)21-8-7-18(3)13-22(21)29-16-23(25)30-15-19-5-4-6-20(14-19)31(26,27)24-9-11-28-12-10-24/h4-8,13-14,17H,9-12,15-16H2,1-3H3