[2-[2-(diphenylmethylidene)hydrazinyl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[2-(diphenylmethylidene)hydrazinyl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-benzhydrylidenehydrazino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[2-(diphenylmethylene)hydrazinyl]-2-oxoethyl] ester IUPAC Name: [2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(N'-benzhydrylidenehydrazino)-2-keto-ethyl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5S/c1-31(28,29)25-14-12-19(13-15-25)22(27)30-16-20(26)23-24-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,23,26)