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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H20N4O5S MolecularWeight: 464.4937

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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)C(=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)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H20N4O5S/c1-16-7-13-19(14-8-16)33(30,31)26(2)18-11-9-17(10-12-18)23(29)32-15-27-22(28)20-5-3-4-6-21(20)24-25-27/h3-14H,15H2,1-2H3