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

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C28H29FN2O6S MolecularWeight: 540.603063

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)F

InChI

InChI=1S/C28H29FN2O6S/c29-25-12-11-24(19-26(25)38(34,35)31-15-17-36-18-16-31)28(33)37-21-27(32)30(20-23-9-5-2-6-10-23)14-13-22-7-3-1-4-8-22/h1-12,19H,13-18,20-21H2