6-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 6-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 6-[4-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]phenyl]-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 6-[4-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]phenyl]-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 6-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-6-[4-(3-methylolpiperidino)sulfonylphenyl]-1H-pyridine-3-carbonitrile Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)C#N)CO

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)C#N)CO

InChI

InChI=1S/C18H19N3O4S/c19-10-15-5-8-17(20-18(15)23)14-3-6-16(7-4-14)26(24,25)21-9-1-2-13(11-21)12-22/h3-8,13,22H,1-2,9,11-12H2,(H,20,23)