(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H13BrN4O5S2 MolecularWeight: 521.36432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C19H13BrN4O5S2/c20-16-9-10-17(30-16)31(27,28)22-13-7-5-12(6-8-13)19(26)29-11-24-18(25)14-3-1-2-4-15(14)21-23-24/h1-10,22H,11H2