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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate CAS Name: 4-[(4-fluorophenyl)sulfonylamino]butanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate Traditional Name: 4-[(4-fluorophenyl)sulfonylamino]butyric acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H27FN2O5S MolecularWeight: 414.491483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)CCCNS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CCCNS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H27FN2O5S/c20-16-8-10-17(11-9-16)28(25,26)21-12-6-7-19(24)27-15-18(23)22-13-4-2-1-3-5-14-22/h8-11,21H,1-7,12-15H2