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

Systemtic Name: N-[3-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[(5-bromo-2-chloro-4-pyrimidinyl)amino]propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]propyl]-3-nitro-benzenesulfonamide Formula: C13H13BrClN5O4S MolecularWeight: 450.69542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCNC2=NC(=NC=C2Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCNC2=NC(=NC=C2Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrClN5O4S/c14-11-8-17-13(15)19-12(11)16-5-2-6-18-25(23,24)10-4-1-3-9(7-10)20(21)22/h1,3-4,7-8,18H,2,5-6H2,(H,16,17,19)