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

Systemtic Name: 4-[4-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]butoxy]-2-nitro-benzenesulfonamide Openeye Name: 4-[4-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]butoxy]-2-nitro-benzenesulfonamide CAS Name: 4-[4-[(5-bromo-2-chloro-4-pyrimidinyl)amino]butoxy]-2-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butoxy]-2-nitrobenzenesulfonamide Traditional Name: 4-[4-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]butoxy]-2-nitro-benzenesulfonamide Formula: C14H15BrClN5O5S MolecularWeight: 480.7214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCCCNC2=NC(=NC=C2Br)Cl)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=C(C=C1OCCCCNC2=NC(=NC=C2Br)Cl)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C14H15BrClN5O5S/c15-10-8-19-14(16)20-13(10)18-5-1-2-6-26-9-3-4-12(27(17,24)25)11(7-9)21(22)23/h3-4,7-8H,1-2,5-6H2,(H2,17,24,25)(H,18,19,20)