2-[[4-(4-cyanophenoxy)iminopiperidin-1-yl]sulfonylmethyl]-3,3-dimethyl-2-propan-2-yl-butanoic acid

Systemtic Name: 2-[[4-(4-cyanophenoxy)iminopiperidin-1-yl]sulfonylmethyl]-3,3-dimethyl-2-propan-2-yl-butanoic acid Openeye Name: 2-[[4-(4-cyanophenoxy)imino-1-piperidyl]sulfonylmethyl]-2-isopropyl-3,3-dimethyl-butanoic acid CAS Name: 2-[[4-(4-cyanophenoxy)imino-1-piperidinyl]sulfonylmethyl]-3,3-dimethyl-2-propan-2-ylbutanoic acid IUPAC Name: 2-[[4-(4-cyanophenoxy)iminopiperidin-1-yl]sulfonylmethyl]-3,3-dimethyl-2-propan-2-ylbutanoic acid Traditional Name: 2-[[4-(4-cyanophenyl)oximinopiperidino]sulfonylmethyl]-2-isopropyl-3,3-dimethyl-butyric acid Formula: C22H31N3O5S MolecularWeight: 449.56364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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