4-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-bromanyl-benzenesulfonamide

Systemtic Name: 4-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-bromanyl-benzenesulfonamide Openeye Name: 3-bromo-4-[(3,4-dihydroxyphenyl)methylamino]benzenesulfonamide CAS Name: 3-bromo-4-[(3,4-dihydroxyphenyl)methylamino]benzenesulfonamide IUPAC Name: 3-bromo-4-[(3,4-dihydroxyphenyl)methylamino]benzenesulfonamide Traditional Name: 3-bromo-4-(protocatechuylamino)benzenesulfonamide Formula: C13H13BrN2O4S MolecularWeight: 373.22232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=C(C=C(C=C2)S(=O)(=O)N)Br)O)O

Isomeric SMILES

C1=CC(=C(C=C1CNC2=C(C=C(C=C2)S(=O)(=O)N)Br)O)O

InChI

InChI=1S/C13H13BrN2O4S/c14-10-6-9(21(15,19)20)2-3-11(10)16-7-8-1-4-12(17)13(18)5-8/h1-6,16-18H,7H2,(H2,15,19,20)