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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H20N4O6S/c1-2-28-14-7-9-15(10-8-14)30(26,27)20-12-11-18(24)29-13-23-19(25)16-5-3-4-6-17(16)21-22-23/h3-10,20H,2,11-13H2,1H3