(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic 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=CC=C1N(CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C

InChI

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