(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H19FN4O5S MolecularWeight: 446.452063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H19FN4O5S/c21-15-5-7-16(8-6-15)31(28,29)24-11-9-14(10-12-24)20(27)30-13-25-19(26)17-3-1-2-4-18(17)22-23-25/h1-8,14H,9-13H2