4-chloranyl-N-[3-[(3,4-dimethylphenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-[(3,4-dimethylphenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(3,4-dimethylanilino)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C22H18ClN5O4S MolecularWeight: 483.92742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H18ClN5O4S/c1-13-7-8-15(11-14(13)2)24-21-22(26-19-6-4-3-5-18(19)25-21)27-33(31,32)16-9-10-17(23)20(12-16)28(29)30/h3-12H,1-2H3,(H,24,25)(H,26,27)