(2-methoxy-5-nitro-phenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid (2-methoxy-5-nitro-benzyl) ester Formula: C22H24N2O8S MolecularWeight: 476.49956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N2O8S/c1-15(25)16-6-9-19(10-7-16)33(29,30)23-12-4-3-5-20(23)22(26)32-14-17-13-18(24(27)28)8-11-21(17)31-2/h6-11,13,20H,3-5,12,14H2,1-2H3