(2S)-2-(phenylsulfonyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(phenylsulfonyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: (2S)-2-(benzenesulfonyl)-2-[3-(1-piperidyl)quinoxalin-2-yl]acetonitrile CAS Name: (2S)-2-(benzenesulfonyl)-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2S)-2-(benzenesulfonyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: (2S)-2-besyl-2-(3-piperidinoquinoxalin-2-yl)acetonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c22-15-19(28(26,27)16-9-3-1-4-10-16)20-21(25-13-7-2-8-14-25)24-18-12-6-5-11-17(18)23-20/h1,3-6,9-12,19H,2,7-8,13-14H2/t19-/m1/s1