N-[3-(5-bromanyl-2-chloranyl-pyrimidin-4-yl)oxypropyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(5-bromanyl-2-chloranyl-pyrimidin-4-yl)oxypropyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(5-bromo-2-chloro-pyrimidin-4-yl)oxypropyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[(5-bromo-2-chloro-4-pyrimidinyl)oxy]propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(5-bromo-2-chloropyrimidin-4-yl)oxypropyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(5-bromo-2-chloro-pyrimidin-4-yl)oxypropyl]-3-nitro-benzenesulfonamide Formula: C13H12BrClN4O5S MolecularWeight: 451.68018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCOC2=NC(=NC=C2Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCOC2=NC(=NC=C2Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrClN4O5S/c14-11-8-16-13(15)18-12(11)24-6-2-5-17-25(22,23)10-4-1-3-9(7-10)19(20)21/h1,3-4,7-8,17H,2,5-6H2