[1-oxidanylidene-1-(propylamino)propan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H34N2O5S/c1-6-13-23-20(25)16(2)29-21(26)17-11-14-24(15-12-17)30(27,28)19-9-7-18(8-10-19)22(3,4)5/h7-10,16-17H,6,11-15H2,1-5H3,(H,23,25)