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

Systemtic Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 2-bromanylbenzenesulfonate Openeye Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 2-bromobenzenesulfonate CAS Name: 2-bromobenzenesulfonic acid [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 2-bromobenzenesulfonate Traditional Name: 2-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=CC=C3Br)NS1

Isomeric SMILES

COC(=O)NC1=NC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3Br)NS1

InChI

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