2-bromanyl-4,5-dimethoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-4,5-dimethoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2-bromo-4,5-dimethoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2-bromo-4,5-dimethoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-bromo-4,5-dimethoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-bromo-4,5-dimethoxy-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]benzenesulfonamide Formula: C18H19BrN4O4S MolecularWeight: 467.33686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NCC2=CC=CC=C2CN3C=NC=N3

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NCC2=CC=CC=C2CN3C=NC=N3

InChI

InChI=1S/C18H19BrN4O4S/c1-26-16-7-15(19)18(8-17(16)27-2)28(24,25)22-9-13-5-3-4-6-14(13)10-23-12-20-11-21-23/h3-8,11-12,22H,9-10H2,1-2H3