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

Systemtic Name: 2-(4-piperidin-1-ylsulfonylphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(1-piperidylsulfonyl)phenyl]-5-(3-pyridylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]-5-(3-pyridinylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-(4-piperidin-1-ylsulfonylphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-piperidinosulfonylphenyl)-5-(3-pyridylmethylamino)oxazole-4-carbonitrile Formula: C21H21N5O3S MolecularWeight: 423.48814

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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=CN=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3S/c22-13-19-21(24-15-16-5-4-10-23-14-16)29-20(25-19)17-6-8-18(9-7-17)30(27,28)26-11-2-1-3-12-26/h4-10,14,24H,1-3,11-12,15H2