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

Systemtic Name: 4-chloranyl-N-[3-[(2-methylphenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(2-methylanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(2-methylanilino)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(2-methylanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-3-nitro-N-[3-(o-toluidino)quinoxalin-2-yl]benzenesulfonamide Formula: C21H16ClN5O4S MolecularWeight: 469.90084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN5O4S/c1-13-6-2-3-7-16(13)23-20-21(25-18-9-5-4-8-17(18)24-20)26-32(30,31)14-10-11-15(22)19(12-14)27(28)29/h2-12H,1H3,(H,23,24)(H,25,26)