N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H26FN3O7S MolecularWeight: 495.521143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C22H26FN3O7S/c1-32-20-13-16(19(26(28)29)14-21(20)33-2)7-10-24-22(27)15-8-11-25(12-9-15)34(30,31)18-5-3-17(23)4-6-18/h3-6,13-15H,7-12H2,1-2H3,(H,24,27)