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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-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-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H20N4O5S/c1-2-26(23,24)19-9-7-12(8-10-19)16(22)25-11-20-15(21)13-5-3-4-6-14(13)17-18-20/h3-6,12H,2,7-11H2,1H3