(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C27H26FNO7S MolecularWeight: 527.561243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H26FNO7S/c1-18-7-8-20(15-24(18)37(31,32)29-9-11-33-12-10-29)26(30)34-16-21-13-23(28)14-22-17-35-27(36-25(21)22)19-5-3-2-4-6-19/h2-8,13-15,27H,9-12,16-17H2,1H3