[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H20F2N2O6S MolecularWeight: 454.444406

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F)F

InChI

InChI=1S/C20H20F2N2O6S/c21-16-4-1-14(2-5-16)12-23-19(25)13-30-20(26)15-3-6-17(22)18(11-15)31(27,28)24-7-9-29-10-8-24/h1-6,11H,7-10,12-13H2,(H,23,25)