4-[4-(1-quinoxalin-2-ylcarbonylpiperidin-4-yl)sulfonylphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(1-quinoxalin-2-ylcarbonylpiperidin-4-yl)sulfonylphenyl]benzenecarbonitrile Openeye Name: 4-[4-[[1-(quinoxaline-2-carbonyl)-4-piperidyl]sulfonyl]phenyl]benzonitrile CAS Name: 4-[4-[[1-[oxo(2-quinoxalinyl)methyl]-4-piperidinyl]sulfonyl]phenyl]benzonitrile IUPAC Name: 4-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]sulfonylphenyl]benzonitrile Traditional Name: 4-[4-[[1-(quinoxaline-2-carbonyl)-4-piperidyl]sulfonyl]phenyl]benzonitrile Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H22N4O3S/c28-17-19-5-7-20(8-6-19)21-9-11-22(12-10-21)35(33,34)23-13-15-31(16-14-23)27(32)26-18-29-24-3-1-2-4-25(24)30-26/h1-12,18,23H,13-16H2