3-oxidanylidene-5-(4-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-yl-pentanenitrile

Systemtic Name: 3-oxidanylidene-5-(4-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-yl-pentanenitrile Openeye Name: 3-oxo-5-[4-(1-piperidylsulfonyl)phenyl]-2-(2-quinolyl)pentanenitrile CAS Name: 3-oxo-5-[4-(1-piperidinylsulfonyl)phenyl]-2-(2-quinolinyl)pentanenitrile IUPAC Name: 3-oxo-5-(4-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-ylpentanenitrile Traditional Name: 3-keto-5-(4-piperidinosulfonylphenyl)-2-(2-quinolyl)valeronitrile Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)C(C#N)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)C(C#N)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25N3O3S/c26-18-22(24-14-11-20-6-2-3-7-23(20)27-24)25(29)15-10-19-8-12-21(13-9-19)32(30,31)28-16-4-1-5-17-28/h2-3,6-9,11-14,22H,1,4-5,10,15-17H2