(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H20N4O6S/c1-14-6-7-15(12-18(14)31(27,28)23-8-10-29-11-9-23)20(26)30-13-24-19(25)16-4-2-3-5-17(16)21-22-24/h2-7,12H,8-11,13H2,1H3