(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic 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:

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N4O7S/c27-21-17-3-1-2-4-18(17)23-24-26(21)14-33-22(28)15-7-9-25(10-8-15)34(29,30)16-5-6-19-20(13-16)32-12-11-31-19/h1-6,13,15H,7-12,14H2