2-[4-(2-chloranylpyridin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-chloranylpyridin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-chloropyridine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-chloro-4-pyridinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-chloropyridine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-chloroisonicotinoyl)piperazino]sulfonylbenzonitrile Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NC=C2)Cl)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NC=C2)Cl)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H15ClN4O3S/c18-16-11-13(5-6-20-16)17(23)21-7-9-22(10-8-21)26(24,25)15-4-2-1-3-14(15)12-19/h1-6,11H,7-10H2