(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic 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 (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H25FN2O7S MolecularWeight: 528.549303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C26H25FN2O7S/c1-16(29-37(32,33)23-10-8-22(9-11-23)28-17(2)30)25(31)34-14-19-12-21(27)13-20-15-35-26(36-24(19)20)18-6-4-3-5-7-18/h3-13,16,26,29H,14-15H2,1-2H3,(H,28,30)/t16-,26?/m0/s1