2-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(6-chloronicotinoyl)piperazino]sulfonylbenzonitrile Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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