[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate CAS Name: 4-[(4-fluorophenyl)sulfonylamino]butanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate Traditional Name: 4-[(4-fluorophenyl)sulfonylamino]butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H22FN3O5S MolecularWeight: 411.447783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)CCCNS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)CCCNS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H22FN3O5S/c19-14-5-7-15(8-6-14)28(25,26)21-11-3-4-17(24)27-12-16(23)22-18(13-20)9-1-2-10-18/h5-8,21H,1-4,9-12H2,(H,22,23)