[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C22H16FN3O5S MolecularWeight: 453.442943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H16FN3O5S/c23-16-8-10-18(11-9-16)32(29,30)26-20-7-2-1-6-19(20)22(28)31-14-21(27)25-17-5-3-4-15(12-17)13-24/h1-12,26H,14H2,(H,25,27)