6-[4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(3,5-dichloro-2-hydroxy-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(3,5-dichloro-2-hydroxyphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(3,5-dichloro-2-hydroxy-phenyl)sulfonylpiperazino]nicotinonitrile Formula: C16H14Cl2N4O3S MolecularWeight: 413.27836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC(=C3O)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC(=C3O)Cl)Cl

InChI

InChI=1S/C16H14Cl2N4O3S/c17-12-7-13(18)16(23)14(8-12)26(24,25)22-5-3-21(4-6-22)15-2-1-11(9-19)10-20-15/h1-2,7-8,10,23H,3-6H2