N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-1-(phenylmethyl)piperidin-4-amine

Systemtic Name: N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-1-(phenylmethyl)piperidin-4-amine Openeye Name: 1-benzyl-N-[[5-nitro-2-(p-tolylsulfanyl)phenyl]methyl]piperidin-4-amine CAS Name: N-[[2-[(4-methylphenyl)thio]-5-nitrophenyl]methyl]-1-(phenylmethyl)-4-piperidinamine IUPAC Name: 1-benzyl-N-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]piperidin-4-amine Traditional Name: (1-benzyl-4-piperidyl)-[5-nitro-2-(p-tolylthio)benzyl]amine Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])CNC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])CNC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S/c1-20-7-10-25(11-8-20)32-26-12-9-24(29(30)31)17-22(26)18-27-23-13-15-28(16-14-23)19-21-5-3-2-4-6-21/h2-12,17,23,27H,13-16,18-19H2,1H3