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

Systemtic Name: 5-(pyridin-3-ylmethylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-pyridylmethylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-(3-pyridinylmethylamino)-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(pyridin-3-ylmethylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-pyridylmethylamino)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C20H19N5O3S MolecularWeight: 409.46156

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)NCC4=CN=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3S/c21-12-18-20(23-14-15-4-3-9-22-13-15)28-19(24-18)16-5-7-17(8-6-16)29(26,27)25-10-1-2-11-25/h3-9,13,23H,1-2,10-11,14H2