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1-[(3-nitro-4-phenylsulfanyl-phenyl)methyl]piperidine; piperidine

1-[(3-nitro-4-phenylsulfanyl-phenyl)methyl]piperidine; piperidine

Systemtic Name:1-[(3-nitro-4-phenylsulfanyl-phenyl)methyl]piperidine; piperidine
Openeye Name:1-[(3-nitro-4-phenylsulfanyl-phenyl)methyl]piperidine; piperidine
CAS Name:1-[[3-nitro-4-(phenylthio)phenyl]methyl]piperidine; piperidine
IUPAC Name:1-[(3-nitro-4-phenylsulfanylphenyl)methyl]piperidine; piperidine
Traditional Name:1-[3-nitro-4-(phenylthio)benzyl]piperidine; piperidine
Formula: C23H31N3O2S
MolecularWeight: 413.57614
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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC1.C1CCN(CC1)CC2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1CCNCC1.C1CCN(CC1)CC2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C18H20N2O2S.C5H11N/c21-20(22)17-13-15(14-19-11-5-2-6-12-19)9-10-18(17)23-16-7-3-1-4-8-16;1-2-4-6-5-3-1/h1,3-4,7-10,13H,2,5-6,11-12,14H2;6H,1-5H2


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