[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C24H27FN4O8S MolecularWeight: 550.556583

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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)NC4=C(C=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC(=O)NC4=C(C=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C24H27FN4O8S/c25-17-4-6-20(22(14-17)29(32)33)26-23(30)16-37-24(31)19-15-18(38(34,35)28-8-2-1-3-9-28)5-7-21(19)27-10-12-36-13-11-27/h4-7,14-15H,1-3,8-13,16H2,(H,26,30)