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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylamino)-2-quinoxalinyl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-chloro-3-nitro-benzenesulfonamide Formula: C21H14ClN5O6S MolecularWeight: 499.88376

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN5O6S/c22-14-7-6-13(10-17(14)27(28)29)34(30,31)26-21-20(24-15-3-1-2-4-16(15)25-21)23-12-5-8-18-19(9-12)33-11-32-18/h1-10H,11H2,(H,23,24)(H,25,26)