(2S)-2-(4-methoxyphenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(4-methoxyphenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(1-piperidyl)quinoxalin-2-yl]acetonitrile CAS Name: (2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2S)-2-(4-methoxyphenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: (2S)-2-(4-methoxyphenyl)sulfonyl-2-(3-piperidinoquinoxalin-2-yl)acetonitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCCCC4

InChI

InChI=1S/C22H22N4O3S/c1-29-16-9-11-17(12-10-16)30(27,28)20(15-23)21-22(26-13-5-2-6-14-26)25-19-8-4-3-7-18(19)24-21/h3-4,7-12,20H,2,5-6,13-14H2,1H3/t20-/m1/s1