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

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H24FN3O5S MolecularWeight: 449.495763

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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)NCCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O5S/c1-15-2-7-19(25(27)28)14-20(15)31(29,30)24-12-9-17(10-13-24)21(26)23-11-8-16-3-5-18(22)6-4-16/h2-7,14,17H,8-13H2,1H3,(H,23,26)