N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]isonipecotamide Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O7S/c1-29-17-3-5-18(6-4-17)30-19-12-15(11-16(13-19)23(25)26)21-20(24)14-7-9-22(10-8-14)31(2,27)28/h3-6,11-14H,7-10H2,1-2H3,(H,21,24)