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

Systemtic Name: N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-N-[1-(phenylmethyl)piperidin-4-yl]pentanamide Openeye Name: N-(1-benzyl-4-piperidyl)-N-[[5-nitro-2-(p-tolylsulfanyl)phenyl]methyl]pentanamide CAS Name: N-[[2-[(4-methylphenyl)thio]-5-nitrophenyl]methyl]-N-[1-(phenylmethyl)-4-piperidinyl]pentanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-N-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]pentanamide Traditional Name: N-(1-benzyl-4-piperidyl)-N-[5-nitro-2-(p-tolylthio)benzyl]valeramide Formula: C31H37N3O3S MolecularWeight: 531.70878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)C)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)N(CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)C)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C31H37N3O3S/c1-3-4-10-31(35)33(27-17-19-32(20-18-27)22-25-8-6-5-7-9-25)23-26-21-28(34(36)37)13-16-30(26)38-29-14-11-24(2)12-15-29/h5-9,11-16,21,27H,3-4,10,17-20,22-23H2,1-2H3