4-[[4-[1,3-bis(oxidanyl)propan-2-yloxy]-5-bromanyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[1,3-bis(oxidanyl)propan-2-yloxy]-5-bromanyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-bromo-4-[2-hydroxy-1-(hydroxymethyl)ethoxy]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[5-bromo-4-(1,3-dihydroxypropan-2-yloxy)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-bromo-4-(1,3-dihydroxypropan-2-yloxy)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-bromo-4-(2-hydroxy-1-methylol-ethoxy)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C13H15BrN4O5S MolecularWeight: 419.251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)OC(CO)CO)Br)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)OC(CO)CO)Br)S(=O)(=O)N

InChI

InChI=1S/C13H15BrN4O5S/c14-11-5-16-13(18-12(11)23-9(6-19)7-20)17-8-1-3-10(4-2-8)24(15,21)22/h1-5,9,19-20H,6-7H2,(H2,15,21,22)(H,16,17,18)