1-(2-nitrophenyl)-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-nitrophenyl)-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: 1-(2-nitrophenyl)-N-[2-(phenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3S/c25-21(22-12-15-28-16-17-6-2-1-3-7-17)18-10-13-23(14-11-18)19-8-4-5-9-20(19)24(26)27/h1-9,18H,10-16H2,(H,22,25)