(3S)-1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[[3-(methylthio)phenyl]methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[3-(methylthio)benzyl]-N-(3-pyrazol-1-ylphenyl)nipecotamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CN2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CSC1=CC=CC(=C1)CN2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C23H26N4OS/c1-29-22-10-2-6-18(14-22)16-26-12-4-7-19(17-26)23(28)25-20-8-3-9-21(15-20)27-13-5-11-24-27/h2-3,5-6,8-11,13-15,19H,4,7,12,16-17H2,1H3,(H,25,28)/t19-/m0/s1