tert-butyl 2-[[4-(4-cyanophenoxy)iminopiperidin-1-yl]sulfonylmethyl]-3-methyl-butanoate

Systemtic Name: tert-butyl 2-[[4-(4-cyanophenoxy)iminopiperidin-1-yl]sulfonylmethyl]-3-methyl-butanoate Openeye Name: tert-butyl 2-[[4-(4-cyanophenoxy)imino-1-piperidyl]sulfonylmethyl]-3-methyl-butanoate CAS Name: 2-[[4-(4-cyanophenoxy)imino-1-piperidinyl]sulfonylmethyl]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(4-cyanophenoxy)iminopiperidin-1-yl]sulfonylmethyl]-3-methylbutanoate Traditional Name: 2-[[4-(4-cyanophenyl)oximinopiperidino]sulfonylmethyl]-3-methyl-butyric acid tert-butyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCC(=NOC2=CC=C(C=C2)C#N)CC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCC(=NOC2=CC=C(C=C2)C#N)CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O5S/c1-16(2)20(21(26)29-22(3,4)5)15-31(27,28)25-12-10-18(11-13-25)24-30-19-8-6-17(14-23)7-9-19/h6-9,16,20H,10-13,15H2,1-5H3