(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric 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:

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NS(=O)(=O)C3=CC=CC=C3

InChI

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