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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(piperonylamino)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C22H20N4O5S/c23-12-18-22(24-13-15-3-8-19-20(11-15)30-14-29-19)31-21(25-18)16-4-6-17(7-5-16)32(27,28)26-9-1-2-10-26/h3-8,11,24H,1-2,9-10,13-14H2