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

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H25FN2O6S MolecularWeight: 464.507103

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25FN2O6S/c1-2-24(15-17-6-4-3-5-7-17)21(26)16-31-22(27)18-8-9-19(23)20(14-18)32(28,29)25-10-12-30-13-11-25/h3-9,14H,2,10-13,15-16H2,1H3