[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C26H32FN3O6S MolecularWeight: 533.612183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC(=O)NCCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC(=O)NCCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN3O6S/c27-21-6-4-20(5-7-21)10-11-28-25(31)19-36-26(32)23-18-22(37(33,34)30-12-2-1-3-13-30)8-9-24(23)29-14-16-35-17-15-29/h4-9,18H,1-3,10-17,19H2,(H,28,31)