N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-yl-ethanamide

Systemtic Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-yl-ethanamide Openeye Name: N-methyl-N-[(1R)-2-(o-tolyl)-1-[1-(2-phenylsulfanylacetyl)-4-piperidyl]ethyl]-2-pyrazol-1-yl-acetamide CAS Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[1-oxo-2-(phenylthio)ethyl]-4-piperidinyl]ethyl]-2-(1-pyrazolyl)acetamide IUPAC Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide Traditional Name: N-methyl-N-[(1R)-2-(o-tolyl)-1-[1-[2-(phenylthio)acetyl]-4-piperidyl]ethyl]-2-pyrazol-1-yl-acetamide Formula: C28H34N4O2S MolecularWeight: 490.66016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C2CCN(CC2)C(=O)CSC3=CC=CC=C3)N(C)C(=O)CN4C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C[C@H](C2CCN(CC2)C(=O)CSC3=CC=CC=C3)N(C)C(=O)CN4C=CC=N4

InChI

InChI=1S/C28H34N4O2S/c1-22-9-6-7-10-24(22)19-26(30(2)27(33)20-32-16-8-15-29-32)23-13-17-31(18-14-23)28(34)21-35-25-11-4-3-5-12-25/h3-12,15-16,23,26H,13-14,17-21H2,1-2H3/t26-/m1/s1