1-(2-nitrophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-nitrophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(2-nitrophenyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(2-nitrophenyl)-N-[4-(3-pyridinylmethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-nitrophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(2-nitrophenyl)-N-[4-(3-pyridylmethylthio)phenyl]isonipecotamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O3S/c29-24(19-11-14-27(15-12-19)22-5-1-2-6-23(22)28(30)31)26-20-7-9-21(10-8-20)32-17-18-4-3-13-25-16-18/h1-10,13,16,19H,11-12,14-15,17H2,(H,26,29)