(3-bromophenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate

Systemtic Name: (3-bromophenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: (3-bromophenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (3-bromophenyl) 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)S(=O)(=O)OC3=CC(=CC=C3)Br)NS1

Isomeric SMILES

COC(=O)NC1=NC2=C(C=C(C=C2)S(=O)(=O)OC3=CC(=CC=C3)Br)NS1

InChI

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