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

Systemtic Name: 4-chloranyl-N-[3-[(4-methoxyphenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(4-methoxyanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(4-methoxyanilino)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(4-methoxyanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-3-nitro-N-[3-(p-anisidino)quinoxalin-2-yl]benzenesulfonamide Formula: C21H16ClN5O5S MolecularWeight: 485.90024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN5O5S/c1-32-14-8-6-13(7-9-14)23-20-21(25-18-5-3-2-4-17(18)24-20)26-33(30,31)15-10-11-16(22)19(12-15)27(28)29/h2-12H,1H3,(H,23,24)(H,25,26)