4-[[5-bromanyl-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-bromanyl-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-bromo-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 4-[[5-bromo-2-(4-sulfamoylanilino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-bromo-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-bromo-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C16H15BrN6O4S2 MolecularWeight: 499.3621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C16H15BrN6O4S2/c17-14-9-20-16(22-11-3-7-13(8-4-11)29(19,26)27)23-15(14)21-10-1-5-12(6-2-10)28(18,24)25/h1-9H,(H2,18,24,25)(H2,19,26,27)(H2,20,21,22,23)