5-tert-butyl-N-[3-[(4-chloranyl-3-nitro-phenyl)amino]quinoxalin-2-yl]-2-methyl-benzenesulfonamide

Systemtic Name: 5-tert-butyl-N-[3-[(4-chloranyl-3-nitro-phenyl)amino]quinoxalin-2-yl]-2-methyl-benzenesulfonamide Openeye Name: 5-tert-butyl-N-[3-(4-chloro-3-nitro-anilino)quinoxalin-2-yl]-2-methyl-benzenesulfonamide CAS Name: 5-tert-butyl-N-[3-(4-chloro-3-nitroanilino)-2-quinoxalinyl]-2-methylbenzenesulfonamide IUPAC Name: 5-tert-butyl-N-[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide Traditional Name: 5-tert-butyl-N-[3-(4-chloro-3-nitro-anilino)quinoxalin-2-yl]-2-methyl-benzenesulfonamide Formula: C25H24ClN5O4S MolecularWeight: 526.00716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN5O4S/c1-15-9-10-16(25(2,3)4)13-22(15)36(34,35)30-24-23(28-19-7-5-6-8-20(19)29-24)27-17-11-12-18(26)21(14-17)31(32)33/h5-14H,1-4H3,(H,27,28)(H,29,30)