[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H22FN3O5S MolecularWeight: 459.490583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O5S/c23-17-7-9-18(10-8-17)26-32(29,30)19-6-4-5-16(13-19)21(28)31-14-20(27)25-22(15-24)11-2-1-3-12-22/h4-10,13,26H,1-3,11-12,14H2,(H,25,27)