N-(2-bromanyl-5-methyl-phenyl)-3-[(2-quinolin-8-ylsulfanylethanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(2-bromanyl-5-methyl-phenyl)-3-[(2-quinolin-8-ylsulfanylethanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-(2-bromo-5-methyl-phenyl)-3-[[[2-(8-quinolylsulfanyl)acetyl]amino]carbamoyl]benzenesulfonamide CAS Name: N-(2-bromo-5-methylphenyl)-3-[oxo-[[1-oxo-2-(8-quinolinylthio)ethyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N-(2-bromo-5-methylphenyl)-3-[[(2-quinolin-8-ylsulfanylacetyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-(2-bromo-5-methyl-phenyl)-3-[[[2-(8-quinolylthio)acetyl]amino]carbamoyl]benzenesulfonamide Formula: C25H21BrN4O4S2 MolecularWeight: 585.49264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CSC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CSC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H21BrN4O4S2/c1-16-10-11-20(26)21(13-16)30-36(33,34)19-8-2-6-18(14-19)25(32)29-28-23(31)15-35-22-9-3-5-17-7-4-12-27-24(17)22/h2-14,30H,15H2,1H3,(H,28,31)(H,29,32)