[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NCC#C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NCC#C)C)C

InChI

InChI=1S/C21H28N2O5S/c1-6-9-22-19(24)13-28-21(25)18-7-10-23(11-8-18)29(26,27)20-16(4)14(2)12-15(3)17(20)5/h1,12,18H,7-11,13H2,2-5H3,(H,22,24)