[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]-piperidin-1-yl-methanone

Systemtic Name: [3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]-piperidin-1-yl-methanone Openeye Name: [3-nitro-4-(4-pyridylmethylsulfanyl)phenyl]-(1-piperidyl)methanone CAS Name: [3-nitro-4-(pyridin-4-ylmethylthio)phenyl]-(1-piperidinyl)methanone IUPAC Name: [3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]-piperidin-1-ylmethanone Traditional Name: [3-nitro-4-(4-pyridylmethylthio)phenyl]-piperidino-methanone Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c22-18(20-10-2-1-3-11-20)15-4-5-17(16(12-15)21(23)24)25-13-14-6-8-19-9-7-14/h4-9,12H,1-3,10-11,13H2