[3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-bromanylbenzenesulfonate Openeye Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C15H12BrN3O5S2 MolecularWeight: 458.30688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)NS1

Isomeric SMILES

COC(=O)NC1=NC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)NS1

InChI

InChI=1S/C15H12BrN3O5S2/c1-23-15(20)18-14-17-12-7-4-10(8-13(12)19-25-14)24-26(21,22)11-5-2-9(16)3-6-11/h2-8,19H,1H3,(H,17,18,20)