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

Systemtic Name: N-[3-[(4-chloranyl-3-nitro-phenyl)amino]quinoxalin-2-yl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-(4-chloro-3-nitro-anilino)quinoxalin-2-yl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[3-(4-chloro-3-nitroanilino)-2-quinoxalinyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[3-(4-chloro-3-nitro-anilino)quinoxalin-2-yl]-3,4-dimethyl-benzenesulfonamide Formula: C22H18ClN5O4S MolecularWeight: 483.92742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

InChI

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