N-[3-[(4-chlorophenyl)amino]quinoxalin-2-yl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-[(4-chlorophenyl)amino]quinoxalin-2-yl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(4-chloroanilino)quinoxalin-2-yl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(4-chloroanilino)-2-quinoxalinyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-chloroanilino)quinoxalin-2-yl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-(4-chloroanilino)quinoxalin-2-yl]-2-methyl-5-nitro-benzenesulfonamide Formula: C21H16ClN5O4S MolecularWeight: 469.90084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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