[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H25FN2O5S/c1-14(20-27(24,25)16-9-7-15(19)8-10-16)18(23)26-13-17(22)21-11-5-3-2-4-6-12-21/h7-10,14,20H,2-6,11-13H2,1H3/t14-/m0/s1