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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]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-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H18N4O5S/c1-12-7-9-14(10-8-12)28(25,26)20-13(2)18(24)27-11-22-17(23)15-5-3-4-6-16(15)19-21-22/h3-10,13,20H,11H2,1-2H3/t13-/m0/s1