(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4-dimethylphenyl)sulfonylamino]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,4-dimethylphenyl)sulfonylamino]propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5S/c1-13-7-8-17(14(2)11-13)29(26,27)20-10-9-18(24)28-12-23-19(25)15-5-3-4-6-16(15)21-22-23/h3-8,11,20H,9-10,12H2,1-2H3