N-[3-(2-fluoranylphenoxy)propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(2-fluoranylphenoxy)propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2-fluorophenoxy)propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(2-fluorophenoxy)propyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(2-fluorophenoxy)propyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2-fluorophenoxy)propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H26FN3O6S MolecularWeight: 479.521743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCCOC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCCOC3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O6S/c1-16-7-8-18(26(28)29)15-21(16)33(30,31)25-12-9-17(10-13-25)22(27)24-11-4-14-32-20-6-3-2-5-19(20)23/h2-3,5-8,15,17H,4,9-14H2,1H3,(H,24,27)