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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C(C1=O)C2=CC=CC=C2C#N)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

CN1C=C(C(=C(C1=O)C2=CC=CC=C2C#N)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C29H26N4O3S/c1-32-20-25(26-13-7-8-16-31-26)27(28(29(32)34)24-12-6-5-9-22(24)19-30)21-14-17-33(18-15-21)37(35,36)23-10-3-2-4-11-23/h2-13,16,20-21H,14-15,17-18H2,1H3