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

Systemtic Name: N-[3-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]-2-oxidanyl-propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]-2-hydroxy-propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[(5-bromo-2-chloro-4-pyrimidinyl)amino]-2-hydroxypropyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-hydroxypropyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]-2-hydroxy-propyl]-3-nitro-benzenesulfonamide Formula: C13H13BrClN5O5S MolecularWeight: 466.69482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCC(CNC2=NC(=NC=C2Br)Cl)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCC(CNC2=NC(=NC=C2Br)Cl)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrClN5O5S/c14-11-7-17-13(15)19-12(11)16-5-9(21)6-18-26(24,25)10-3-1-2-8(4-10)20(22)23/h1-4,7,9,18,21H,5-6H2,(H,16,17,19)