5-(5-methyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carbonitrile

Systemtic Name: 5-(5-methyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carbonitrile Openeye Name: 5-(2-hydroxy-5-methyl-benzoyl)-2-oxo-1-[3-(1-piperidylsulfonyl)phenyl]pyridine-3-carbonitrile CAS Name: 5-[(2-hydroxy-5-methylphenyl)-oxomethyl]-2-oxo-1-[3-(1-piperidinylsulfonyl)phenyl]-3-pyridinecarbonitrile IUPAC Name: 5-(2-hydroxy-5-methylbenzoyl)-2-oxo-1-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carbonitrile Traditional Name: 5-(2-hydroxy-5-methyl-benzoyl)-2-keto-1-(3-piperidinosulfonylphenyl)nicotinonitrile Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H23N3O5S/c1-17-8-9-23(29)22(12-17)24(30)19-13-18(15-26)25(31)28(16-19)20-6-5-7-21(14-20)34(32,33)27-10-3-2-4-11-27/h5-9,12-14,16,29H,2-4,10-11H2,1H3