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

Systemtic Name: (3R)-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3R)-1-mesyl-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]nipecotamide 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)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)[C@@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O7S/c1-29-17-5-7-18(8-6-17)30-19-11-15(10-16(12-19)23(25)26)21-20(24)14-4-3-9-22(13-14)31(2,27)28/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,21,24)/t14-/m1/s1