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

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)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 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H23FN2O9S MolecularWeight: 546.521523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23FN2O9S/c1-34-22-8-7-20(13-21(22)28(30)31)38(32,33)27-10-9-23(29)35-14-17-11-19(26)12-18-15-36-25(37-24(17)18)16-5-3-2-4-6-16/h2-8,11-13,25,27H,9-10,14-15H2,1H3