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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[4-[methyl(p-tolylsulfonyl)amino]phenoxy]acetate CAS Name: 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]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-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetate Traditional Name: 2-[4-[methyl(tosyl)amino]phenoxy]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C24H22N4O6S MolecularWeight: 494.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H22N4O6S/c1-17-7-13-20(14-8-17)35(31,32)27(2)18-9-11-19(12-10-18)33-15-23(29)34-16-28-24(30)21-5-3-4-6-22(21)25-26-28/h3-14H,15-16H2,1-2H3