2-[2-oxidanylidene-1-[[1-(phenylsulfonyl)piperidin-4-yl]methyl]-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanylidene-1-[[1-(phenylsulfonyl)piperidin-4-yl]methyl]-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-[[1-(benzenesulfonyl)-4-piperidyl]methyl]-2-oxo-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[1-[[1-(benzenesulfonyl)-4-piperidinyl]methyl]-2-oxo-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-oxo-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[1-[(1-besyl-4-piperidyl)methyl]-2-keto-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C29H26N4O3S MolecularWeight: 510.60674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O3S/c30-19-23-8-4-5-11-26(23)27-18-24(28-12-6-7-15-31-28)21-32(29(27)34)20-22-13-16-33(17-14-22)37(35,36)25-9-2-1-3-10-25/h1-12,15,18,21-22H,13-14,16-17,20H2