N-(7-bromanyl-3-ethanoyl-2-methyl-1-benzofuran-5-yl)-4-chloranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(7-bromanyl-3-ethanoyl-2-methyl-1-benzofuran-5-yl)-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-(3-acetyl-7-bromo-2-methyl-benzofuran-5-yl)-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-(3-acetyl-7-bromo-2-methyl-5-benzofuranyl)-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-(3-acetyl-7-bromo-2-methyl-1-benzofuran-5-yl)-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-(3-acetyl-7-bromo-2-methyl-benzofuran-5-yl)-4-chloro-3-nitro-benzenesulfonamide Formula: C17H12BrClN2O6S MolecularWeight: 487.70898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=CC(=C2O1)Br)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C2=CC(=CC(=C2O1)Br)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C17H12BrClN2O6S/c1-8(22)16-9(2)27-17-12(16)5-10(6-13(17)18)20-28(25,26)11-3-4-14(19)15(7-11)21(23)24/h3-7,20H,1-2H3