(5-bromanyl-2-phenylmethoxy-phenyl)methyl-[2-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C22H24BrN2O3S+ MolecularWeight: 476.40656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H23BrN2O3S/c23-20-8-11-22(28-16-18-4-2-1-3-5-18)19(14-20)15-25-13-12-17-6-9-21(10-7-17)29(24,26)27/h1-11,14,25H,12-13,15-16H2,(H2,24,26,27)/p+1