2-[4-[3-(phenylsulfonylmethyl)furan-2-yl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[3-(phenylsulfonylmethyl)furan-2-yl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[3-(benzenesulfonylmethyl)furan-2-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[3-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[3-(benzenesulfonylmethyl)furan-2-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[3-(besylmethyl)-2-furoyl]piperazino]isonicotinonitrile Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O4S/c23-15-17-6-8-24-20(14-17)25-9-11-26(12-10-25)22(27)21-18(7-13-30-21)16-31(28,29)19-4-2-1-3-5-19/h1-8,13-14H,9-12,16H2