(3-methyl-4-propan-2-yl-phenyl) 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO5S/c1-14(2)18-6-5-17(12-15(18)3)28-21(24)16-4-7-19(22)20(13-16)29(25,26)23-8-10-27-11-9-23/h4-7,12-14H,8-11H2,1-3H3