(2-nitrophenyl)methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (2-nitrophenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (2-nitrophenyl)methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (2-nitrobenzyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c22-19(27-14-16-6-2-3-7-18(16)21(23)24)15-8-10-17(11-9-15)28(25,26)20-12-4-1-5-13-20/h2-3,6-11H,1,4-5,12-14H2