[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C22H34N2O5S/c1-16(2)9-12-23-21(25)15-29-22(26)19-10-13-24(14-11-19)30(27,28)20-7-5-18(6-8-20)17(3)4/h5-8,16-17,19H,9-15H2,1-4H3,(H,23,25)