[nitro(phenyl)methyl] 4-piperidin-4-ylsulfanylcarbonylbenzoate

Systemtic Name: [nitro(phenyl)methyl] 4-piperidin-4-ylsulfanylcarbonylbenzoate Openeye Name: [nitro(phenyl)methyl] 4-(4-piperidylsulfanylcarbonyl)benzoate CAS Name: 4-[oxo-(4-piperidinylthio)methyl]benzoic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 4-piperidin-4-ylsulfanylcarbonylbenzoate Traditional Name: 4-(4-piperidylthio)carbonylbenzoic acid [nitro(phenyl)methyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1SC(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1SC(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c23-19(27-18(22(25)26)14-4-2-1-3-5-14)15-6-8-16(9-7-15)20(24)28-17-10-12-21-13-11-17/h1-9,17-18,21H,10-13H2