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

Systemtic Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-yl-ethanamide Openeye Name: N-methyl-N-[(1R)-2-(o-tolyl)-1-[1-[2-(2-pyridylsulfanyl)acetyl]-4-piperidyl]ethyl]-2-pyrazol-1-yl-acetamide CAS Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[1-oxo-2-(2-pyridinylthio)ethyl]-4-piperidinyl]ethyl]-2-(1-pyrazolyl)acetamide IUPAC Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide Traditional Name: N-methyl-N-[(1R)-2-(o-tolyl)-1-[1-[2-(2-pyridylthio)acetyl]-4-piperidyl]ethyl]-2-pyrazol-1-yl-acetamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C2CCN(CC2)C(=O)CSC3=CC=CC=N3)N(C)C(=O)CN4C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C[C@H](C2CCN(CC2)C(=O)CSC3=CC=CC=N3)N(C)C(=O)CN4C=CC=N4

InChI

InChI=1S/C27H33N5O2S/c1-21-8-3-4-9-23(21)18-24(30(2)26(33)19-32-15-7-14-29-32)22-11-16-31(17-12-22)27(34)20-35-25-10-5-6-13-28-25/h3-10,13-15,22,24H,11-12,16-20H2,1-2H3/t24-/m1/s1