1-[[4-[2-nitro-4-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methyl]piperidine

Systemtic Name: 1-[[4-[2-nitro-4-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methyl]piperidine Openeye Name: 1-[[4-[2-nitro-4-(1-piperidylmethyl)phenyl]sulfanylphenyl]methyl]piperidine CAS Name: 1-[[4-[[2-nitro-4-(1-piperidinylmethyl)phenyl]thio]phenyl]methyl]piperidine IUPAC Name: 1-[[4-[2-nitro-4-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methyl]piperidine Traditional Name: 1-[4-[[2-nitro-4-(piperidinomethyl)phenyl]thio]benzyl]piperidine Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)SC3=C(C=C(C=C3)CN4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)SC3=C(C=C(C=C3)CN4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O2S/c28-27(29)23-17-21(19-26-15-5-2-6-16-26)9-12-24(23)30-22-10-7-20(8-11-22)18-25-13-3-1-4-14-25/h7-12,17H,1-6,13-16,18-19H2