[(1R)-1-(3-nitrophenyl)ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22N2O6S/c1-15(16-8-7-9-17(14-16)22(24)25)28-20(23)18-10-3-4-11-19(18)29(26,27)21-12-5-2-6-13-21/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3/t15-/m1/s1