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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(phenylsulfonylamino)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c22-16(10-11-18-27(24,25)13-6-2-1-3-7-13)26-12-21-17(23)14-8-4-5-9-15(14)19-20-21/h1-9,18H,10-12H2