2-(3,4-dimethylphenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(3,4-dimethylphenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(1-piperidyl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(3,4-dimethylphenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: 2-(3,4-dimethylphenyl)sulfonyl-2-(3-piperidinoquinoxalin-2-yl)acetonitrile Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCC4)C

InChI

InChI=1S/C23H24N4O2S/c1-16-10-11-18(14-17(16)2)30(28,29)21(15-24)22-23(27-12-6-3-7-13-27)26-20-9-5-4-8-19(20)25-22/h4-5,8-11,14,21H,3,6-7,12-13H2,1-2H3