(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N4O6S/c26-20(31-15-25-21(27)18-3-1-2-4-19(18)22-23-25)10-7-16-5-8-17(9-6-16)32(28,29)24-11-13-30-14-12-24/h1-6,8-9H,7,10-15H2