2-[4-[2-(6-methylpyridin-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(6-methylpyridin-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(6-methyl-3-pyridyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(6-methyl-3-pyridinyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(6-methylpyridin-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(6-methyl-3-pyridyl)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=NC=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H20N4O3S/c1-15-6-7-16(14-21-15)12-19(24)22-8-10-23(11-9-22)27(25,26)18-5-3-2-4-17(18)13-20/h2-7,14H,8-12H2,1H3