(2S)-2-[3-(2-hydroxyethyloxy)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: (2S)-2-[3-(2-hydroxyethyloxy)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile Openeye Name: (2S)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile CAS Name: (2S)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)-2-quinoxalinyl]acetonitrile IUPAC Name: (2S)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile Traditional Name: (2S)-2-besyl-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OCCO

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2OCCO

InChI

InChI=1S/C18H15N3O4S/c19-12-16(26(23,24)13-6-2-1-3-7-13)17-18(25-11-10-22)21-15-9-5-4-8-14(15)20-17/h1-9,16,22H,10-11H2/t16-/m1/s1