6-[4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidin-4-yl]sulfonylnaphthalene-2-carbonitrile

Systemtic Name: 6-[4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidin-4-yl]sulfonylnaphthalene-2-carbonitrile Openeye Name: 6-[[4-[(2-oxopiperazin-1-yl)methyl]-1-(4-pyridyl)-4-piperidyl]sulfonyl]naphthalene-2-carbonitrile CAS Name: 6-[[4-[(2-oxo-1-piperazinyl)methyl]-1-pyridin-4-yl-4-piperidinyl]sulfonyl]-2-naphthalenecarbonitrile IUPAC Name: 6-[4-[(2-oxopiperazin-1-yl)methyl]-1-pyridin-4-ylpiperidin-4-yl]sulfonylnaphthalene-2-carbonitrile Traditional Name: 6-[[4-[(2-ketopiperazino)methyl]-1-(4-pyridyl)-4-piperidyl]sulfonyl]naphthalene-2-carbonitrile Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN2CCNCC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)C#N)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1(CN2CCNCC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)C#N)C5=CC=NC=C5

InChI

InChI=1S/C26H27N5O3S/c27-17-20-1-2-22-16-24(4-3-21(22)15-20)35(33,34)26(19-31-14-11-29-18-25(31)32)7-12-30(13-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,29H,7-8,11-14,18-19H2