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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])OCCCNC2=NC(=NC=C2Br)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])OCCCNC2=NC(=NC=C2Br)Cl

InChI

InChI=1S/C13H13BrClN5O5S/c14-9-7-18-13(15)19-12(9)17-4-1-5-25-11-3-2-8(26(16,23)24)6-10(11)20(21)22/h2-3,6-7H,1,4-5H2,(H2,16,23,24)(H,17,18,19)