(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-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-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S/c25-19-17-8-4-5-9-18(17)21-22-24(19)14-29-20(26)15-10-12-23(13-11-15)30(27,28)16-6-2-1-3-7-16/h1-9,15H,10-14H2