4-bromanyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide Traditional Name: 4-bromo-N-(3-veratryl-2,4-dihydro-1H-s-triazin-6-yl)benzenesulfonamide Formula: C18H21BrN4O4S MolecularWeight: 469.35274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CNC(=NC2)NS(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CNC(=NC2)NS(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C18H21BrN4O4S/c1-26-16-8-3-13(9-17(16)27-2)10-23-11-20-18(21-12-23)22-28(24,25)15-6-4-14(19)5-7-15/h3-9H,10-12H2,1-2H3,(H2,20,21,22)