5-(3-imidazol-1-ylpropylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-imidazol-1-ylpropylamino)-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-[3-(1-imidazolyl)propylamino]-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCCN4C=CN=C4)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCCN4C=CN=C4)C#N

InChI

InChI=1S/C21H24N6O3S/c22-15-19-21(24-9-4-11-26-14-10-23-16-26)30-20(25-19)17-5-7-18(8-6-17)31(28,29)27-12-2-1-3-13-27/h5-8,10,14,16,24H,1-4,9,11-13H2