2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3,5-dimethyl-1-piperidyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3,5-dimethyl-1-piperidinyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3,5-dimethylpiperidino)acetyl]piperazino]sulfonylbenzonitrile Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1CC(CN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C20H28N4O3S/c1-16-11-17(2)14-22(13-16)15-20(25)23-7-9-24(10-8-23)28(26,27)19-6-4-3-5-18(19)12-21/h3-6,16-17H,7-11,13-15H2,1-2H3