5-bromanyl-N-[3-[(4-chloranyl-3-nitro-phenyl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide

Systemtic Name: 5-bromanyl-N-[3-[(4-chloranyl-3-nitro-phenyl)amino]quinoxalin-2-yl]thiophene-2-sulfonamide Openeye Name: 5-bromo-N-[3-(4-chloro-3-nitro-anilino)quinoxalin-2-yl]thiophene-2-sulfonamide CAS Name: 5-bromo-N-[3-(4-chloro-3-nitroanilino)-2-quinoxalinyl]-2-thiophenesulfonamide IUPAC Name: 5-bromo-N-[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide Traditional Name: 5-bromo-N-[3-(4-chloro-3-nitro-anilino)quinoxalin-2-yl]thiophene-2-sulfonamide Formula: C18H11BrClN5O4S2 MolecularWeight: 540.79804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(S3)Br)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(S3)Br)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H11BrClN5O4S2/c19-15-7-8-16(30-15)31(28,29)24-18-17(22-12-3-1-2-4-13(12)23-18)21-10-5-6-11(20)14(9-10)25(26)27/h1-9H,(H,21,22)(H,23,24)