(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(2-thienylsulfonylamino)benzoate CAS Name: 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3,5-bis(2-thienylsulfonylamino)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H17N5O7S4 MolecularWeight: 603.67038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CC(=C3)NS(=O)(=O)C4=CC=CS4)NS(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CC(=C3)NS(=O)(=O)C4=CC=CS4)NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H17N5O7S4/c29-22-18-5-1-2-6-19(18)24-27-28(22)14-35-23(30)15-11-16(25-38(31,32)20-7-3-9-36-20)13-17(12-15)26-39(33,34)21-8-4-10-37-21/h1-13,25-26H,14H2