(2-methoxy-5-nitro-phenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C21H24N2O7S MolecularWeight: 448.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24N2O7S/c1-15-6-7-16(13-20(15)31(27,28)22-10-4-3-5-11-22)21(24)30-14-17-12-18(23(25)26)8-9-19(17)29-2/h6-9,12-13H,3-5,10-11,14H2,1-2H3