N-[4-[[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-cyano-methyl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-cyano-methyl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-cyano-methyl]sulfonylphenyl]acetamide CAS Name: N-[4-[[3-(1,3-benzodioxol-5-ylmethylamino)-2-quinoxalinyl]-cyanomethyl]sulfonylphenyl]acetamide IUPAC Name: N-[4-[[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-cyanomethyl]sulfonylphenyl]acetamide Traditional Name: N-[4-[cyano-[3-(piperonylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide Formula: C26H21N5O5S MolecularWeight: 515.54044

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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=C2NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N5O5S/c1-16(32)29-18-7-9-19(10-8-18)37(33,34)24(13-27)25-26(31-21-5-3-2-4-20(21)30-25)28-14-17-6-11-22-23(12-17)36-15-35-22/h2-12,24H,14-15H2,1H3,(H,28,31)(H,29,32)