(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H22N4O7S/c1-31-19-8-6-16(14-20(19)34(29,30)25-10-12-32-13-11-25)7-9-21(27)33-15-26-22(28)17-4-2-3-5-18(17)23-24-26/h2-9,14H,10-13,15H2,1H3/b9-7+