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

Systemtic Name: N-[3-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]-4-oxidanyl-butyl]benzenesulfonamide Openeye Name: N-[3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]-4-hydroxy-butyl]benzenesulfonamide CAS Name: N-[3-[(5-bromo-2-chloro-4-pyrimidinyl)amino]-4-hydroxybutyl]benzenesulfonamide IUPAC Name: N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-hydroxybutyl]benzenesulfonamide Traditional Name: N-[3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]-4-hydroxy-butyl]benzenesulfonamide Formula: C14H16BrClN4O3S MolecularWeight: 435.72384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCC(CO)NC2=NC(=NC=C2Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCC(CO)NC2=NC(=NC=C2Br)Cl

InChI

InChI=1S/C14H16BrClN4O3S/c15-12-8-17-14(16)20-13(12)19-10(9-21)6-7-18-24(22,23)11-4-2-1-3-5-11/h1-5,8,10,18,21H,6-7,9H2,(H,17,19,20)