(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-13(2)18(22-30(27,28)15-10-8-14(3)9-11-15)20(26)29-12-24-19(25)16-6-4-5-7-17(16)21-23-24/h4-11,13,18,22H,12H2,1-3H3