azanium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylsulfamoyl]benzoate

Systemtic Name: azanium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylsulfamoyl]benzoate Openeye Name: ammonium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylsulfamoyl]benzoate CAS Name: ammonium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylsulfamoyl]benzoate IUPAC Name: azanium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylsulfamoyl]benzoate Traditional Name: ammonium 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylsulfamoyl]benzoate Formula: C25H26N2O8S2 MolecularWeight: 546.61254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CNS(=O)(=O)C4=CC=CC=C4C(=O)[O-].[NH4+]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CNS(=O)(=O)C4=CC=CC=C4C(=O)[O-].[NH4+]

InChI

InChI=1S/C25H23NO8S2.H3N/c1-31-15-8-10-16(11-9-15)34-24-18-12-19(32-2)20(33-3)13-21(18)35-22(24)14-26-36(29,30)23-7-5-4-6-17(23)25(27)28;/h4-13,26H,14H2,1-3H3,(H,27,28);1H3