N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-bromanyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-bromo-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylamino)-2-quinoxalinyl]-4-bromobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-bromobenzenesulfonamide Traditional Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-bromo-benzenesulfonamide Formula: C21H15BrN4O4S MolecularWeight: 499.3372

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C21H15BrN4O4S/c22-13-5-8-15(9-6-13)31(27,28)26-21-20(24-16-3-1-2-4-17(16)25-21)23-14-7-10-18-19(11-14)30-12-29-18/h1-11H,12H2,(H,23,24)(H,25,26)