1-[4-(phenylmethyl)piperidin-1-yl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CS(=O)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CS(=O)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H30N4O2S/c33-27(30-17-13-24(14-18-30)19-23-9-3-1-4-10-23)22-35(34)21-25-20-29-32(26-11-5-2-6-12-26)28(25)31-15-7-8-16-31/h1-12,15-16,20,24H,13-14,17-19,21-22H2