5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-piperidinosulfonylphenyl)-5-(piperonylamino)oxazole-4-carbonitrile Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C23H22N4O5S/c24-13-19-23(25-14-16-4-9-20-21(12-16)31-15-30-20)32-22(26-19)17-5-7-18(8-6-17)33(28,29)27-10-2-1-3-11-27/h4-9,12,25H,1-3,10-11,14-15H2