4-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Systemtic Name: 4-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide Openeye Name: 4-[(5-bromo-2-hydroxy-phenyl)methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide CAS Name: 4-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide IUPAC Name: 4-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide Traditional Name: 4-[(5-bromo-2-hydroxy-benzyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide Formula: C17H17BrN4O3S2 MolecularWeight: 469.37588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H17BrN4O3S2/c1-2-16-20-21-17(26-16)22-27(24,25)14-6-4-13(5-7-14)19-10-11-9-12(18)3-8-15(11)23/h3-9,19,23H,2,10H2,1H3,(H,21,22)