2-[2,5-bis(chloranyl)phenyl]sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(2,5-dichlorophenyl)sulfonyl-2-[3-(1-piperidyl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(2,5-dichlorophenyl)sulfonyl-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(2,5-dichlorophenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: 2-(2,5-dichlorophenyl)sulfonyl-2-(3-piperidinoquinoxalin-2-yl)acetonitrile Formula: C21H18Cl2N4O2S MolecularWeight: 461.36422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H18Cl2N4O2S/c22-14-8-9-15(23)18(12-14)30(28,29)19(13-24)20-21(27-10-4-1-5-11-27)26-17-7-3-2-6-16(17)25-20/h2-3,6-9,12,19H,1,4-5,10-11H2