8-bromanyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-N-oxidanyl-quinoline-3-carboxamide

Systemtic Name: 8-bromanyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-N-oxidanyl-quinoline-3-carboxamide Openeye Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]quinoline-3-carbohydroxamic acid CAS Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-N-hydroxy-3-quinolinecarboxamide IUPAC Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-N-hydroxyquinoline-3-carboxamide Traditional Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]quinoline-3-carbohydroxamic acid Formula: C21H18BrN3O5S MolecularWeight: 504.35372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CNC2=C3C=CC=C(C3=NC=C2C(=O)NO)Br

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CNC2=C3C=CC=C(C3=NC=C2C(=O)NO)Br

InChI

InChI=1S/C21H18BrN3O5S/c1-2-3-11-30-14-7-9-15(10-8-14)31(28,29)13-24-19-16-5-4-6-18(22)20(16)23-12-17(19)21(26)25-27/h4-10,12,27H,11,13H2,1H3,(H,23,24)(H,25,26)