3-bromanyl-N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]benzenesulfonamide

Systemtic Name: 3-bromanyl-N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]benzenesulfonamide Openeye Name: 3-bromo-N-[2-[(3-nitro-2-pyridyl)sulfanyl]phenyl]benzenesulfonamide CAS Name: 3-bromo-N-[2-[(3-nitro-2-pyridinyl)thio]phenyl]benzenesulfonamide IUPAC Name: 3-bromo-N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]benzenesulfonamide Traditional Name: 3-bromo-N-[2-[(3-nitro-2-pyridyl)thio]phenyl]benzenesulfonamide Formula: C17H12BrN3O4S2 MolecularWeight: 466.32888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=CC=C2)Br)SC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=CC=C2)Br)SC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O4S2/c18-12-5-3-6-13(11-12)27(24,25)20-14-7-1-2-9-16(14)26-17-15(21(22)23)8-4-10-19-17/h1-11,20H