[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C23H24FN3O5S MolecularWeight: 473.517163

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)F)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)F)C3(CCCCC3)C#N

InChI

InChI=1S/C23H24FN3O5S/c1-27(23(16-25)13-5-2-6-14-23)21(28)15-32-22(29)19-7-3-4-8-20(19)26-33(30,31)18-11-9-17(24)10-12-18/h3-4,7-12,26H,2,5-6,13-15H2,1H3