(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C23H26N4O5S/c1-15-12-16(2)21(17(3)13-15)33(30,31)26-10-8-18(9-11-26)23(29)32-14-27-22(28)19-6-4-5-7-20(19)24-25-27/h4-7,12-13,18H,8-11,14H2,1-3H3