(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic 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:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H16N4O5S/c1-12-6-8-13(9-7-12)27(24,25)18-10-16(22)26-11-21-17(23)14-4-2-3-5-15(14)19-20-21/h2-9,18H,10-11H2,1H3