N-(1-bromanylisoquinolin-3-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(1-bromanylisoquinolin-3-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(1-bromo-3-isoquinolyl)-4-nitro-benzenesulfonamide CAS Name: N-(1-bromo-3-isoquinolinyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(1-bromoisoquinolin-3-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(1-bromo-3-isoquinolyl)-4-nitro-benzenesulfonamide Formula: C15H10BrN3O4S MolecularWeight: 408.2266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2Br)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2Br)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10BrN3O4S/c16-15-13-4-2-1-3-10(13)9-14(17-15)18-24(22,23)12-7-5-11(6-8-12)19(20)21/h1-9H,(H,17,18)