(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-13-6-8-14(9-7-13)27(24,25)11-10-17(22)26-12-21-18(23)15-4-2-3-5-16(15)19-20-21/h2-9H,10-12H2,1H3