[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H26N2O5S/c1-4-26(23,24)20-9-7-15(8-10-20)18(22)25-12-17(21)19-16-11-13(2)5-6-14(16)3/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,19,21)