5-[4-(phenylmethyl)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(phenylmethyl)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzyl-1-piperidyl)-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-[4-(phenylmethyl)-1-piperidinyl]-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperidino)-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC(CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC(CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C27H30N4O3S/c28-20-25-27(30-17-13-22(14-18-30)19-21-7-3-1-4-8-21)34-26(29-25)23-9-11-24(12-10-23)35(32,33)31-15-5-2-6-16-31/h1,3-4,7-12,22H,2,5-6,13-19H2