N-[3-(4-bromophenyl)sulfanylquinoxalin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-bromophenyl)sulfanylquinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(4-bromophenyl)sulfanylquinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[(4-bromophenyl)thio]-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-bromophenyl)sulfanylquinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[(4-bromophenyl)thio]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C20H13BrN4O4S2 MolecularWeight: 517.37562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)SC3=CC=C(C=C3)Br)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)SC3=CC=C(C=C3)Br)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13BrN4O4S2/c21-13-8-10-15(11-9-13)30-20-19(22-17-6-1-2-7-18(17)23-20)24-31(28,29)16-5-3-4-14(12-16)25(26)27/h1-12H,(H,22,24)