[3-[[5-(dimethylamino)-6-iodanyl-naphthalen-1-yl]sulfonylamino]phenyl]boronic acid

Systemtic Name: [3-[[5-(dimethylamino)-6-iodanyl-naphthalen-1-yl]sulfonylamino]phenyl]boronic acid Openeye Name: [3-[[5-(dimethylamino)-6-iodo-1-naphthyl]sulfonylamino]phenyl]boronic acid CAS Name: [3-[[5-(dimethylamino)-6-iodo-1-naphthalenyl]sulfonylamino]phenyl]boronic acid IUPAC Name: [3-[[5-(dimethylamino)-6-iodonaphthalen-1-yl]sulfonylamino]phenyl]boronic acid Traditional Name: [3-[[5-(dimethylamino)-6-iodo-1-naphthyl]sulfonylamino]phenyl]boronic acid Formula: C18H18BIN2O4S MolecularWeight: 496.12699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC(=C3N(C)C)I)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC(=C3N(C)C)I)(O)O

InChI

InChI=1S/C18H18BIN2O4S/c1-22(2)18-15-7-4-8-17(14(15)9-10-16(18)20)27(25,26)21-13-6-3-5-12(11-13)19(23)24/h3-11,21,23-24H,1-2H3