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

Systemtic Name: [3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[3-nitro-4-(3-pyridylmethylsulfanyl)phenyl]methanone CAS Name: [3-nitro-4-(3-pyridinylmethylthio)phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone Traditional Name: (4-benzylpiperidino)-[3-nitro-4-(3-pyridylmethylthio)phenyl]methanone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O3S/c29-25(27-13-10-20(11-14-27)15-19-5-2-1-3-6-19)22-8-9-24(23(16-22)28(30)31)32-18-21-7-4-12-26-17-21/h1-9,12,16-17,20H,10-11,13-15,18H2