[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(3-fluorophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(3-fluorophenyl)sulfonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate CAS Name: 2-[(3-fluorophenyl)sulfonylamino]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate Traditional Name: 2-[(3-fluorophenyl)sulfonylamino]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H20FN3O5S MolecularWeight: 397.421203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CNS(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CNS(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C17H20FN3O5S/c18-13-5-4-6-14(9-13)27(24,25)20-10-16(23)26-11-15(22)21-17(12-19)7-2-1-3-8-17/h4-6,9,20H,1-3,7-8,10-11H2,(H,21,22)