2-methyl-N-[3-[1-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl]piperidin-4-yl]phenyl]propanamide

Systemtic Name: 2-methyl-N-[3-[1-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl]piperidin-4-yl]phenyl]propanamide Openeye Name: 2-methyl-N-[3-[1-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methyl]-4-piperidyl]phenyl]propanamide CAS Name: 2-methyl-N-[3-[1-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methyl]-4-piperidinyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[3-[1-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl]piperidin-4-yl]phenyl]propanamide Traditional Name: 2-methyl-N-[3-[1-[3-nitro-4-(p-tolylthio)benzyl]-4-piperidyl]phenyl]propionamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CN3CCC(CC3)C4=CC(=CC=C4)NC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CN3CCC(CC3)C4=CC(=CC=C4)NC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C29H33N3O3S/c1-20(2)29(33)30-25-6-4-5-24(18-25)23-13-15-31(16-14-23)19-22-9-12-28(27(17-22)32(34)35)36-26-10-7-21(3)8-11-26/h4-12,17-18,20,23H,13-16,19H2,1-3H3,(H,30,33)