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

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H26FN3O5S2 MolecularWeight: 495.587343

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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)NCCCSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O5S2/c1-16-3-6-19(26(28)29)15-21(16)33(30,31)25-12-9-17(10-13-25)22(27)24-11-2-14-32-20-7-4-18(23)5-8-20/h3-8,15,17H,2,9-14H2,1H3,(H,24,27)