(4-nitrophenyl)methyl 4-[1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[1-[2-(2-thienyl)acetyl]-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-[2-(2-thienyl)acetyl]-4-piperidyl]piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C24H29N3O5S MolecularWeight: 471.56916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC4=CC=CS4

InChI

InChI=1S/C24H29N3O5S/c28-23(16-22-2-1-15-33-22)25-11-7-19(8-12-25)20-9-13-26(14-10-20)24(29)32-17-18-3-5-21(6-4-18)27(30)31/h1-6,15,19-20H,7-14,16-17H2