4-[4-[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(5-methyl-2-furyl)quinoline-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[2-(5-methyl-2-furanyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(5-methyl-2-furyl)quinoline-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H22N4O4S/c1-18-6-11-25(34-18)24-16-22(21-4-2-3-5-23(21)28-24)26(31)29-12-14-30(15-13-29)35(32,33)20-9-7-19(17-27)8-10-20/h2-11,16H,12-15H2,1H3