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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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