[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C20H18FN3O6S MolecularWeight: 447.436823

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18FN3O6S/c21-18-5-4-16(31(27,28)24-6-8-29-9-7-24)11-17(18)20(26)30-13-19(25)23-15-3-1-2-14(10-15)12-22/h1-5,10-11H,6-9,13H2,(H,23,25)