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

Systemtic Name: 4-[[4-[1,3-bis(oxidanyl)propan-2-ylamino]-5-bromanyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-bromo-4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[5-bromo-4-(1,3-dihydroxypropan-2-ylamino)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-bromo-4-(1,3-dihydroxypropan-2-ylamino)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-bromo-4-[(2-hydroxy-1-methylol-ethyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C13H16BrN5O4S MolecularWeight: 418.26624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN5O4S/c14-11-5-16-13(19-12(11)17-9(6-20)7-21)18-8-1-3-10(4-2-8)24(15,22)23/h1-5,9,20-21H,6-7H2,(H2,15,22,23)(H2,16,17,18,19)