N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C22H24ClFN4O6S MolecularWeight: 526.965563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)Cl)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)Cl)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClFN4O6S/c23-18-13-16(1-3-19(18)24)25-22(29)15-5-7-26(8-6-15)20-4-2-17(14-21(20)28(30)31)35(32,33)27-9-11-34-12-10-27/h1-4,13-15H,5-12H2,(H,25,29)