(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17FN2O8S MolecularWeight: 440.399583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C[C@@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H17FN2O8S/c1-11(20-30(25,26)16-5-3-2-4-15(16)19)18(22)28-9-13-7-14(21(23)24)6-12-8-27-10-29-17(12)13/h2-7,11,20H,8-10H2,1H3/t11-/m0/s1