N-[4-[cyano-[3-(3-oxidanylpropylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[cyano-[3-(3-oxidanylpropylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[cyano-[3-(3-hydroxypropylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide CAS Name: N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide IUPAC Name: N-[4-[cyano-[3-(3-hydroxypropylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide Traditional Name: N-[4-[cyano-[3-(3-hydroxypropylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCCCO

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCCCO

InChI

InChI=1S/C21H21N5O4S/c1-14(28)24-15-7-9-16(10-8-15)31(29,30)19(13-22)20-21(23-11-4-12-27)26-18-6-3-2-5-17(18)25-20/h2-3,5-10,19,27H,4,11-12H2,1H3,(H,23,26)(H,24,28)