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

Systemtic Name: 5-[4-(phenylmethyl)piperidin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzyl-1-piperidyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-[4-(phenylmethyl)-1-piperidinyl]-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperidino)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C26H28N4O3S MolecularWeight: 476.59052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC(CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC(CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C26H28N4O3S/c27-19-24-26(29-16-12-21(13-17-29)18-20-6-2-1-3-7-20)33-25(28-24)22-8-10-23(11-9-22)34(31,32)30-14-4-5-15-30/h1-3,6-11,21H,4-5,12-18H2