(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(phenylsulfonylamino)ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(phenylsulfonylamino)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(benzenesulfonamido)acetate CAS Name: 2-(benzenesulfonamido)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(benzenesulfonamido)acetate Traditional Name: 2-(benzenesulfonamido)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H14N4O5S MolecularWeight: 374.37116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H14N4O5S/c21-15(10-17-26(23,24)12-6-2-1-3-7-12)25-11-20-16(22)13-8-4-5-9-14(13)18-19-20/h1-9,17H,10-11H2