(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(butylsulfonylamino)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H20N4O5S/c1-3-4-9-25(22,23)17-11(2)15(21)24-10-19-14(20)12-7-5-6-8-13(12)16-18-19/h5-8,11,17H,3-4,9-10H2,1-2H3/t11-/m0/s1