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

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(4-methoxyphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C28H24N4O4S MolecularWeight: 512.57956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C28H24N4O4S/c1-36-22-12-10-20(11-13-22)26-18-24(23-7-3-4-8-25(23)30-26)28(33)31-14-16-32(17-15-31)37(34,35)27-9-5-2-6-21(27)19-29/h2-13,18H,14-17H2,1H3